SCHEMBL257218

SCHEMBL257218

O/N=C(/Cc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CTBP2 P56545 1/20 0.50
XDH P47989 6/20 0.49
MGLL Q99685 3/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
NLRP3 Q96P20 2/20 0.42
TLR4 O00206 1/20 0.42

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
SCHEMBL4586154 1.00 CTSL (0.55) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL4586157 1.00 CTSL (0.55) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL8407033 0.88 MGLL (0.58) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL28302059 0.88 LMNA (0.52) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL4586342 0.86 ALDH1A1 (0.51) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9324776 0.86 KDM4E (0.46) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9324768 0.86 KDM4E (0.46) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9321485 0.86 GAA (0.50) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL4587535 0.86 SMN1; SMN2 (0.50) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL13853886 0.86 KDM4E (0.54) CTSLKDM4ESMN1; SMN2CTBP2XDH

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133918-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF Reiley Pharmaceuticals, Inc. 2022-05-05 US disclosed
CN-108348906-B Hydrogenation catalyst composition and method for producing same, and hydrogenated polymer and method for producing same 旭化成株式会社 2021-03-30 CN disclosed
CN-108348906-A Hydrogenation catalyst composition and method for producing same, and hydrogenated polymer and method for producing same 旭化成株式会社 2018-07-31 CN disclosed
CN-104736574-B The manufacture method and hydrogenation catalyst composition of hydrogenation catalyst composition 旭化成株式会社 2017-08-08 CN disclosed
CN-104640629-B Catalyst composition for hydrogenation and hydrogenation method using catalyst composition for hydrogenation 旭化成株式会社 2017-05-24 CN disclosed
CN-104718026-B Hydrogenation catalyst composition and hydrogenation method using said hydrogenation catalyst composition 旭化成株式会社 2017-05-17 CN disclosed
US-9096739-B2 Cellulose acetate film SK INNOVATION CO., LTD. (KR) 2015-08-04 US disclosed
US-9096739-B2 Cellulose acetate film SK INNOVATION CO., LTD. (KR) 2015-08-04 US disclosed
CN-104736574-A Method of producing hydrogenation catalyst composition and hydrogenation catalyst composition ASAHI KASEI CHEMICALS CORP 2015-06-24 CN disclosed
CN-104718026-A Hydrogenation catalyst composition and hydrogenation method using said hydrogenation catalyst composition ASAHI KASEI CHEMICALS CORP 2015-06-17 CN disclosed
CN-104640629-A Catalyst composition for hydrogenation and hydrogenation method using catalyst composition for hydrogenation ASAHI KASEI CHEMICALS CORP 2015-05-20 CN disclosed
US-20150053113-A1 Cellulose Acetate Film SK INNOVATION CO., LTD. (KR) 2015-02-26 US disclosed
US-20150053113-A1 Cellulose Acetate Film SK INNOVATION CO., LTD. (KR) 2015-02-26 US disclosed
WO-2012030117-A2 CELLULOSE ACETATE FILM SK INNOVATION CO.,LTD. (KR) 2012-03-08 WO disclosed
US-7320978-B2 Oxazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-01-22 US disclosed
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
US-4194050-A HYDROGENATING OXIMES HAVING AN ALPHA-HYDROGEN USING A RUTHENIUM CATALYST AND A CARBOXYLIC ANHYDRIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-18 US disclosed
US-4190656-A VIRICIDES, ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-26 US disclosed
US-4137417-A Process for producing an enamide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-01-30 US 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 (2 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-20220133918-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF PTGES2, PTGES, OPRK1 CTSL 2269/4885KDM4E 3239/4885SMN1; SMN2 4409/4885
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF OXA1L, ARG2, CYP3A7 CTSL 2413/4885KDM4E 2554/4885SMN1; SMN2 1359/4885

“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.