SCHEMBL294028

SCHEMBL294028

COC(=O)[CH]Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3090267 0.86 NPC1 (0.57) MAOBALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL95253 0.82 CA2 (0.50) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL3755931 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9ACYP2C19
SCHEMBL28885206 0.81 KDM4E (0.45) MAOBALDH1A1KDM4ELMNAHTT
SCHEMBL7150103 0.81 MAOB (0.50) MAOBALDH1A1HCAR2LMNACA1
SCHEMBL4645707 0.81 ALDH1A1 (0.48) MAOBALDH1A1TSHRHCAR2LMNA
SCHEMBL7148105 0.81 MAOB (0.50) MAOBALDH1A1HCAR2LMNACA1
SCHEMBL8262659 0.81 MAOB (0.50) MAOBALDH1A1HCAR2LMNACA1
SCHEMBL7518761 0.81 GPR52 (0.48) ALDH1A1HCAR2TAAR1KDM4ELMNA
SCHEMBL290693 0.81 MAPT (0.51) ALDH1A1TSHRHCAR2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062559-A1 CANNABINOID DERIVATIVES CANOPY GROWTH CORPORATION (CA) 2021-04-08 WO claimed
WO-2021062557-A1 CANNABINOID DERIVATIVES CANOPY GROWTH CORPORATION (CA) 2021-04-08 WO claimed
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US claimed
EP-3564334-A1 ALDEHYDE SCAVENGER AND ALDEHYDE REMOVAL METHOD Tosoh Corporation (JP) 2019-11-06 EP claimed
CN-109963922-A Aldehyde agent for capturing and aldehyde minimizing technology 东曹株式会社 2019-07-02 CN claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-20130190248-A1 SUBSTITUTED PEPTIDE ANALOGS AGENSYS, INC. (US) 2013-07-25 US claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO claimed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
CN-1231465-C Biphenylsulfonyl cyanamides, method for the production thereof and use thereof as medicaments AVENTIS PHARMACEUTIC DEUTSCHLA (DE) 2005-12-14 CN claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP claimed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US claimed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP claimed
EP-0188805-B1 1,3-DITHIOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 EP claimed
EP-0188805-A1 1,3-Dithiole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-30 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAOB 2599/4885ALDH1A1 3623/4885TSHR 1295/4885
US-20130190248-A1 SUBSTITUTED PEPTIDE ANALOGS NGLY1, VIP, DNPEP MAOB 4715/4885ALDH1A1 3613/4885TSHR 545/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAOB 2599/4885ALDH1A1 3623/4885TSHR 1295/4885

“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.