SCHEMBL629324

SCHEMBL629324

C=Cc1cc(OC)ccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
APLNR P35414 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 7/20 0.39
CYP1A1 P04798 7/20 0.39
CYP1B1 Q16678 7/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP2C19 P33261 2/20 0.37
HTR2A P28223 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL16959550 0.84 ERN1 (0.44) ERN1APLNRALDH1A1CYP1A2CYP1A1
SCHEMBL630627 0.82 ERN1 (0.43) ERN1APLNRALDH1A1KDM4EKMT2A
SCHEMBL16953704 0.81 ERN1 (0.39) ERN1APLNRALDH1A1KDM4EKMT2A
SCHEMBL20767542 0.77 LTA4H (0.51) ALDH1A1
SCHEMBL9065566 0.77 CYP1A2 (0.52) ERN1ALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL2060421 0.77 HTR2A (0.47) APLNRCYP1A2HTR2ACYP2A6HSD17B10
SCHEMBL30567454 0.77 CYP1A2 (0.52) ERN1ALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL825091 0.76 ERN1 (0.43) ERN1ALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL630820 0.76 ABCB11 (0.36) ERN1ALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL630819 0.76 ABCB11 (0.36) ERN1ALDH1A1KDM4EKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
EP-2074102-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-07-01 EP disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ERN1 3196/4885APLNR 2463/4885ALDH1A1 2690/4885
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands ESR1, GPER1, ESR2 ERN1 289/4885APLNR 415/4885ALDH1A1 1020/4885

“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.