SCHEMBL3565013

SCHEMBL3565013

Brc1ccc(C2(c3ccccc3)OCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.38
CHEK2 O96017 1/20 0.37
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
CYP26A1 O43174 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
CNR1 P21554 2/20 0.35

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
SCHEMBL6437554 0.91 CYP2A6 (0.40) ALDH1A1MAPK1USP2CYP26A1RXRA
SCHEMBL1256099 0.87 CHEK2 (0.39) ALDH1A1MAPK1CHEK2OPRM1OPRK1
SCHEMBL21679404 0.86 MAOA (0.38) ALDH1A1TDP1MAPK1USP2CYP26A1
SCHEMBL27825774 0.84 CHEK2 (0.38) ALDH1A1MAPK1CHEK2OPRM1OPRK1
SCHEMBL28147803 0.82 CHRNA1 (0.40) ALDH1A1TDP1MAPK1CHEK2CYP26A1
SCHEMBL30959783 0.82 CHRNA1 (0.40) ALDH1A1TDP1MAPK1CHEK2CYP26A1
SCHEMBL3562339 0.82 CNR1 (0.39) ALDH1A1KDM1AMAPK1CHEK2CNR1
SCHEMBL17746142 0.81 TAAR1 (0.39) ALDH1A1TDP1KDM1ARCOR1MAPK1
SCHEMBL14081492 0.79 OPRM1 (0.42) CHEK2ORAI1ORAI2ORAI3TRPV6
SCHEMBL11046196 0.79 TSHR (0.46) ALDH1A1MAPK1CHEK2CYP26A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229288-B1 POLYMER, AND MIXTURE, FORMULATION AND ORGANIC ELECTRONIC DEVICE CONTAINING THE SAME, AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MAT LTD (CN) 2019-05-01 EP disclosed
EP-3229288-A1 POLYMER, MIXTURE AND COMPOUND CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE AND MONOMER THEREOF Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2017-10-11 EP disclosed
US-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 US disclosed
US-7132440-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-07 US disclosed
EP-1613313-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-11 EP disclosed
WO-2004093873-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-`4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-04 WO disclosed
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2004-10-28 US disclosed
EP-0401798-B1 Substituted aminoalkylbenzene derivatives HOFFMANN LA ROCHE (CH) 1995-01-11 EP disclosed
US-5137920-A METHOD OF TREATING FUNGAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1992-08-11 US disclosed
US-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 ALDH1A1 1427/4885TDP1 471/4885KDM1A 2167/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 ALDH1A1 1463/4885TDP1 352/4885KDM1A 2696/4885

“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.