SCHEMBL346072

SCHEMBL346072

O=c1occc(-c2ccccc2)c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
NQO1 P15559 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ABCB1 P08183 3/20 0.37
CALM1 P0DP23 1/20 0.37
CTRC Q99895 2/20 0.37
PTPN1 P18031 1/20 0.36
TYMP P19971 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8627682 0.74 CALM1 (0.42) ALDH1A1RAB9ASMN1; SMN2TDP1CALM1
SCHEMBL25372606 0.72 LMNA (0.44) MAOBALDH1A1KDM4EHTTRAB9A
Ammonia Solution, Strong SCHEMBL27829594 0.71 LMNA (0.43) MAOBALDH1A1KDM4EHTTRAB9A
SCHEMBL311581 0.71 CTRC (0.40) MAOBALDH1A1KDM4EHTTRAB9A
SCHEMBL28190794 0.71 KDM4E (0.48) MAOBALDH1A1KDM4EMAPK1RAB9A
SCHEMBL23925707 0.71 HDAC4 (0.53) MAOBALDH1A1KDM4EMAPK1HTT
SCHEMBL812897 0.67 CTRC (0.48) MAOBALDH1A1KDM4EMAPK1HTT
SCHEMBL5562618 0.67 SLC5A2 (0.47) MAOBALDH1A1MEN1KMT2ALMNA
SCHEMBL27429798 0.67 CTRC (0.53) RAB9ASMN1; SMN2CALM1CTRCPTPN1
SCHEMBL9419609 0.67 CALM1 (0.42) MAOBALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993917-B2 Nanocomplex AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-04 US disclosed
EP-3142705-B1 POLYMER-FLAVONOID CONJUGATE AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2020-08-19 EP disclosed
EP-2435504-B1 FLAVONOID HYDROGEL AGENCY SCIENCE TECH & RES (SG) 2020-03-11 EP disclosed
US-10406175-B2 Polymer-flavonoid conjugate and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-09-10 US disclosed
US-20190262271-A1 A NANOCOMPLEX AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-08-29 US disclosed
US-10221253-B2 Phase separated composite AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-05 US disclosed
WO-2018124970-A1 A NANOCOMPLEX AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-05 WO disclosed
US-20170258757-A1 ANTI-CANCER AGENT DELIVERY VEHICLES CAPABLE OF IMPROVED LOADING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-09-14 US disclosed
US-20170216446-A1 POLYMER-FLAVONOID CONJUGATE AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-08-03 US disclosed
US-9687464-B2 Anti-cancer agent delivery vehicles capable of improved loading AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-27 US disclosed
CN-101909655-A Method of delivering an anti-cancer agent to a cell AGENCY SCIENCE TECH & RES 2010-12-08 CN disclosed
WO-2010138082-A1 FLAVONOID HYDROGEL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-12-02 WO disclosed
EP-2214715-A1 METHOD OF DELIVERING AN ANTI-CANCER AGENT TO A CELL Agency for Science, Technology And Research (SG) 2010-08-11 EP disclosed
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-25 US disclosed
WO-2010011318-A2 ACTIVATIQN OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 WO disclosed
WO-2009054813-A1 METHOD OF DELIVERING AN ANTI-CANCER AGENT TO A CELL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-30 WO disclosed
CN-101180319-A Aldehyde conjugated flavonoid preparations AGENCY SCIENCE TECH & RES (SG) 2008-05-14 CN disclosed
US-20080102052-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2008-05-01 US disclosed
EP-1888651-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS Agency for Science, Technology and Research (SG) 2008-02-20 EP disclosed
WO-2006124000-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 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 (6 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-10221253-B2 Phase separated composite COL2A1, COL1A1, COL14A1 MAOB 145/4885NQO1 1008/4885ALDH1A1 213/4885
US-10993917-B2 Nanocomplex CD44, PROC, MUC1 MAOB 1928/4885NQO1 71/4885ALDH1A1 678/4885
US-20170216446-A1 POLYMER-FLAVONOID CONJUGATE AND USES THEREOF SYVN1, SELP, PCSK6 MAOB 418/4885NQO1 18/4885ALDH1A1 2541/4885
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL GRIK5, HDAC11, GRIK1 MAOB 736/4885NQO1 1982/4885ALDH1A1 2825/4885
US-10406175-B2 Polymer-flavonoid conjugate and uses thereof SYVN1, SELP, PCSK6 MAOB 418/4885NQO1 18/4885ALDH1A1 2541/4885
US-20190262271-A1 A NANOCOMPLEX CD44, MUC1, PROC MAOB 1459/4885NQO1 57/4885ALDH1A1 610/4885

“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.