SCHEMBL7744014

SCHEMBL7744014

NC=CCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.67
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
KCNA3 P22001 1/20 0.46
SCN4A P35499 2/20 0.41
LTA4H P09960 2/20 0.41
PLA2G2A P14555 1/20 0.41
MAOB P27338 3/20 0.40
AOC2 O75106 2/20 0.40
MAOA P21397 2/20 0.40
DAO P14920 1/20 0.40
ALOX15 P16050 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
SCHEMBL419305 0.85 AOC3 (0.78) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL419306 0.85 AOC3 (0.78) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL3983710 0.80 AOC3 (1.00) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL3983712 0.80 AOC3 (1.00) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL7258669 0.78 LTA4H (0.44) AOC3LTA4H
SCHEMBL10477050 0.77 AOC3 (0.61) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL6417265 0.77 AOC3 (0.61) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL19784339 0.77 AOC3 (0.67) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL2167367 0.77 AOC3 (0.61) AOC3TAAR1ALDH1A1RECQLKCNA3
SCHEMBL5576566 0.77 AOC3 (0.61) AOC3TAAR1ALDH1A1RECQLKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-08-24 US disclosed
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-08-24 US disclosed
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-08-24 US disclosed
US-9624158-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-04-18 US disclosed
US-9624158-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-04-18 US disclosed
EP-2945702-B1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INST FOR BIOMEDICAL RES S A (ES) 2017-01-11 EP disclosed
EP-2945702-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES Prous Institute for Biomedical Research, S.A. (ES) 2015-11-25 EP disclosed
WO-2014096377-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2014-06-26 WO disclosed
WO-2014096377-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2014-06-26 WO disclosed
EP-2745876-A1 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives Prous Institute for Biomedical Research, S.A. (ES) 2014-06-25 EP disclosed
EP-2745876-A1 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives Prous Institute for Biomedical Research, S.A. (ES) 2014-06-25 EP disclosed
EP-2745876-A1 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives Prous Institute for Biomedical Research, S.A. (ES) 2014-06-25 EP disclosed
EP-0888331-A4 SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES LILLY CO ELI (US) 2001-05-23 EP disclosed
US-6008377-A ACYLATING A N-DISUBSTITUED-PHENYLOXYETHYLAMINE CHLORO OR BROMO SALT WITH A BENZOTHIOPHENE DERIVATIVE IN PRESENCE OF TRIBOROCHLORIDE OR BROMIDE, DEALKYLATING ONE OR MORE PHENOLIC GROUP OF THE PRODUCT WITH ADDITIONAL BOROHALIDE ELI LILLY AND COMPANY (US) 1999-12-28 US disclosed
EP-0888331-A1 SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1999-01-07 EP disclosed
WO-1997034888-A1 SYNTHESIS OF 3-[4-(2-AMINOETHOXY)-BENZOYL]-2-ARYL-6-HYDROXY-BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1997-09-25 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 (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-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES SLC1A2, PNMT, DBH AOC3 1498/4885TAAR1 163/4885ALDH1A1 353/4885

“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.