SCHEMBL1562279

SCHEMBL1562279

CCOC(=O)/C=C/c1cc(OC)cc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
CYP3A4 P08684 4/20 0.47
DPP4 P27487 2/20 0.46
TTR P02766 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CNKSR1 Q969H4 1/20 0.44
FDPS P14324 1/20 0.43
ALOX5 P09917 1/20 0.43
ESR1 P03372 1/20 0.43
AKT1 P31749 1/20 0.42
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 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
SCHEMBL1562282 1.00 MAOB (0.48) MAOBCYP3A4DPP4TTRCA12
SCHEMBL11225538 0.85 CNKSR1 (0.49) MAOBCYP3A4DPP4TTRCA12
SCHEMBL11225533 0.85 CNKSR1 (0.49) MAOBCYP3A4DPP4TTRCA12
SCHEMBL19257215 0.83 MAOB (0.48) MAOBCYP3A4DPP4TTRCA12
SCHEMBL11970741 0.82 NFKB1 (0.55) CYP3A4DPP4CA2ALOX5AKT1
SCHEMBL11970736 0.82 NFKB1 (0.55) CYP3A4DPP4CA2ALOX5AKT1
SCHEMBL435330 0.82 MAOB (0.49) MAOBCYP3A4DPP4TTRCA12
SCHEMBL18260176 0.79 CA12 (0.51) MAOBCYP3A4DPP4TTRCA12
SCHEMBL13324262 0.77 CA12 (0.51) MAOBCYP3A4DPP4TTRCA12
SCHEMBL13091485 0.77 CA12 (0.51) MAOBCYP3A4DPP4TTRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805160-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2011-04-06 EP disclosed
EP-1805160-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2011-04-06 EP disclosed
US-7354951-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-04-08 US disclosed
US-7354951-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-04-08 US disclosed
US-7354951-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-04-08 US disclosed
US-20080064742-A1 Substituted Benzopyrans as Selective Estrogen Receptor-Beta Agonists ELI LILLY AND COMPANY 2008-03-13 US disclosed
US-20080064742-A1 Substituted Benzopyrans as Selective Estrogen Receptor-Beta Agonists ELI LILLY AND COMPANY 2008-03-13 US disclosed
US-20080064742-A1 Substituted Benzopyrans as Selective Estrogen Receptor-Beta Agonists ELI LILLY AND COMPANY 2008-03-13 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-20080064742-A1 Substituted Benzopyrans as Selective Estrogen Receptor-Beta Agonists ESR2, GPER1, ESR1 MAOB 1276/4885CYP3A4 1075/4885DPP4 2424/4885

“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.