SCHEMBL165313

SCHEMBL165313

COc1ccc(CN)c(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
KDM4E B2RXH2 5/20 0.47
TSHR P16473 1/20 0.47
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL2076075 0.98 AOC3 (0.56) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL1253168 0.83 AOC3 (0.64) AOC3SMN1; SMN2POLBCYP1A2KDM4E
SCHEMBL8910900 0.82 AOC3 (0.56) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL4945959 0.82 KDM1A (0.46) AOC3SMN1; SMN2POLBCYP1A2CHRM2
Hydrochloric Acid SCHEMBL7084948 0.82 AOC3 (0.45) AOC3SMN1; SMN2POLBCYP1A2CHRM2
Hydrochloric Acid SCHEMBL7366474 0.82 AOC3 (0.62) AOC3CYP1A2KDM4EAPOBEC3ACTDSP1
SCHEMBL622628 0.81 CA12 (0.53) SMN1; SMN2POLBCYP1A2KDM4ETSHR
SCHEMBL30883 0.80 AOC3 (0.55) AOC3SMN1; SMN2POLBCYP1A2CHRM2
SCHEMBL8597522 0.79 IDO1 (0.55) AOC3SMN1; SMN2POLBCYP1A2CHRM2
Hydrochloric Acid SCHEMBL5485820 0.79 CA12 (0.51) SMN1; SMN2POLBCYP1A2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444662-B1 REACTION WITH AMINE BASE WILLMAR SCHWABE GMBH & CO. (DE) 2002-09-03 US claimed
CN-114306613-A Pharmaceutical composition 查尔斯顿实验室公司 2022-04-12 CN disclosed
CN-106957314-B Pyrimidine derivatives as RAF kinase inhibitors 苏尼西斯制药有限公司 2019-12-31 CN disclosed
EP-3231798-B1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
WO-2019152685-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND METHODS OF USING SAME APTINYX INC. (US) 2019-08-08 WO disclosed
WO-2019152685-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND METHODS OF USING SAME APTINYX INC. (US) 2019-08-08 WO disclosed
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MITHRIDION, INC. 2018-04-12 US disclosed
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
EP-3231798-A1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2017-10-18 EP disclosed
US-9738633-B2 Cognition enhancing compounds and compositions, methods of making, and methods of treating NEUROSOLIS, INC. (US) 2017-08-22 US disclosed
EP-1326849-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE Merck Sharp & Dohme Limited (GB) 2003-07-16 EP disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
EP-1290012-A2 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES Novartis AG (CH) 2003-03-12 EP disclosed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 WO disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO disclosed
WO-2001089282-A2 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES NOVARTIS AG (CH) 2001-11-29 WO disclosed
EP-1091928-A1 NOVEL ACYL PSEUDODIPEPTIDES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OM Pharma (CH) 2001-04-18 EP disclosed
WO-2000000462-A1 NOVEL ACYL PSEUDODIPEPTIDES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OM PHARMA (CH) 2000-01-06 WO disclosed
EP-0801083-A2 Improved functionalized resin for chemical synthesis PFIZER INC. (US) 1997-10-15 EP disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (1 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-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 AOC3 405/4885SMN1; SMN2 1001/4885POLB 4342/4885

“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.