SCHEMBL510213

SCHEMBL510213

O=Cc1ccc(OC2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.54
PARP10 Q53GL7 1/20 0.53
CYP2A6 P11509 1/20 0.47
TSHR P16473 1/20 0.46
FAAH O00519 1/20 0.45
EPHX2 P34913 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A3 P47895 1/20 0.42
FURIN P09958 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA10 Q9GZZ6 2/20 0.42
CHRNA9 Q9UGM1 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
STS P08842 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL510687 0.98 HPGD (0.56) ALDH1A1KDM4EHPGDPARP10CYP2A6
SCHEMBL4058730 0.98 HPGD (0.56) ALDH1A1KDM4EHPGDPARP10CYP2A6
SCHEMBL3636729 0.98 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPARP10CYP2A6
SCHEMBL833489 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDPARP10CYP2A6
SCHEMBL3074898 0.88 ACACB (0.50) ALDH1A1KDM4EHPGDPARP10FAAH
SCHEMBL15382502 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDPARP10CYP2A6
SCHEMBL4050773 0.86 RAB9A (0.51) ALDH1A1KDM4EHPGDPARP10TSHR
SCHEMBL4060325 0.84 RAB9A (0.50) ALDH1A1KDM4EHPGDPARP10TSHR
SCHEMBL8547307 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDPARP10CYP2A6
SCHEMBL8550317 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDPARP10CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2024-04-04 US disclosed
EP-4277896-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B.G. Negev Technologies and Applications Ltd., at Ben-Gurion University (IL) 2023-11-22 EP disclosed
WO-2022153306-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2022-07-21 WO disclosed
CN-112679515-A Benzofuran derivative and preparation method and application thereof 苏聪 2021-04-20 CN disclosed
US-9663458-B2 Diaminoguanidine derivatives and application thereof in preparation of animal growth promoters used in feed Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2017-05-30 US disclosed
US-20160340299-A1 DIAMINOGUANIDINE DERIVATIVES AND APPLICATION THEREOF IN PREPARATION OF ANIMAL GROWTH PROMOTERS USED IN FEED Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2016-11-24 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
CN-103880712-B Imidocarbonic acid dihydrazide derivative and preparing the application in animal feeding growth stimulant GUANGZHOU INSIGHTER BIOTECHNOLOGY CO.,LTD. (CN) 2015-12-02 CN disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
CN-101300250-A Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD (JP) 2008-11-05 CN disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
CN-1377353-A Purine derivatives having phosphodiesterase IN inhibition activity EURO CELTIQUE SA (LU) 2002-10-30 CN disclosed
WO-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240109855-A1 ANTI-QUORUM SENSING, ANTI-BIOFILM, AND INFLAMMATION ATTENUATING COMPOUNDS, COMPOSITIONS, AND METHODS OF USING SAME FPR1, FPR2, IL1B ALDH1A1 2719/4885KDM4E 1985/4885HPGD 1793/4885
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 ALDH1A1 3642/4885KDM4E 3045/4885HPGD 2653/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885KDM4E 23/4885HPGD 118/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 ALDH1A1 3327/4885KDM4E 1711/4885HPGD 2551/4885
US-20160340299-A1 DIAMINOGUANIDINE DERIVATIVES AND APPLICATION THEREOF IN PREPARATION OF ANIMAL GROWTH PROMOTERS USED IN FEED SAT1, RNGTT, ODC1 ALDH1A1 3808/4885KDM4E 761/4885HPGD 1259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.