SCHEMBL3565601

SCHEMBL3565601

O=Cc1ccc(C2(c3ccccc3)OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 2/20 0.46
CYP26A1 O43174 2/20 0.41
CYP3A4 P08684 1/20 0.41
CHEK2 O96017 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
IP6K1 Q92551 1/20 0.36
HSD17B10 Q99714 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL3570463 0.84 HSD17B10 (0.57) ALDH1A1CYP2A6CYP26A1CYP3A4CHEK2
SCHEMBL1256099 0.82 CHEK2 (0.39) ALDH1A1CYP26A1CHEK2RXRARXRB
SCHEMBL19443834 0.81 TSHR (0.46) ALDH1A1CYP26A1CYP3A4CHEK2RXRA
SCHEMBL27825774 0.80 CHEK2 (0.38) ALDH1A1CYP26A1CHEK2RXRARXRB
SCHEMBL15012931 0.75 CYP26A1 (0.42) ALDH1A1CYP26A1CYP3A4CHEK2RXRA
SCHEMBL14081492 0.75 OPRM1 (0.42) CYP26A1CHEK2NPC1RXRARXRB
SCHEMBL3565013 0.75 ALDH1A1 (0.40) ALDH1A1CYP26A1CHEK2POLBRXRA
SCHEMBL15866295 0.74 ALDH1A1 (0.41) ALDH1A1CYP26A1CYP3A4CHEK2KMT2A
SCHEMBL9618088 0.73 MEN1 (0.46) MEN1POLBKMT2ARXRA
SCHEMBL14778257 0.73 GAA (0.46) MEN1POLBKMT2ARXRA

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
US-10840450-B2 Polymer, and mixture or formulation, and organic electronic device containing same, and monomer thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-11-17 US disclosed
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
US-20170358751-A1 POLYMER, MIXTURE AND COMPOUND CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-14 US disclosed
US-20170358751-A1 POLYMER, MIXTURE AND COMPOUND CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-14 US 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

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-10840450-B2 Polymer, and mixture or formulation, and organic electronic device containing same, and monomer thereof TEAD2, TEAD1, TEAD3 ALDH1A1 955/4885CYP2A6 2480/4885CYP26A1 3114/4885
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 ALDH1A1 1427/4885CYP2A6 2858/4885CYP26A1 1724/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 ALDH1A1 1463/4885CYP2A6 2776/4885CYP26A1 1699/4885

“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.