SCHEMBL6283932

SCHEMBL6283932

Oc1cccc(C2=Cc3ccc(O)cc3C23Cc2ccccc2C3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 1.00
ESR2 Q92731 11/20 1.00
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 5/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP2 O95551 3/20 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
SCHEMBL6286195 0.90 ESR1 (1.00) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL6282610 0.81 ESR2 (1.00) ESR1ESR2
SCHEMBL6283895 0.79 ESR2 (1.00) ESR1ESR2
SCHEMBL6286186 0.78 ESR1 (1.00) ESR1ESR2HSD17B1HSD17B2HSD17B10
SCHEMBL6286158 0.72 ESR1 (0.75) ESR1ESR2
SCHEMBL6282618 0.64 ESR2 (1.00) ESR1ESR2KDM4ETSHRHSD17B10
SCHEMBL6794599 0.63 ESR2 (0.49) ESR1ESR2
SCHEMBL12009549 0.60 ESR1 (0.52) ESR1ESR2KDM4ETSHRHSD17B10
SCHEMBL29551999 0.60 HSD17B1 (0.88) ESR1ESR2HSD17B1HSD17B2HSD17B10
SCHEMBL69369 0.60 HSD17B1 (0.88) ESR1ESR2HSD17B1HSD17B2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838584-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2005-01-04 US disclosed
US-20040162304-A1 Estrogen receptor modulators MERCK & CO., INC. 2004-08-19 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-20040162304-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB ESR1 5/4885ESR2 4/4885HSD17B1 116/4885

“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.