SCHEMBL15788575

SCHEMBL15788575

CCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2cccc(O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.63
▸ EBP Q15125 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ KCNH2 Q12809 2/20 0.61
▸ SIGMAR1 Q99720 2/20 0.61
▸ CHRM2 P08172 2/20 0.61
▸ ADRA2A P08913 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ CHRM1 P11229 2/20 0.61
▸ PTGS1 P23219 2/20 0.61
▸ SLC6A2 P23975 2/20 0.61
▸ SLC6A4 P31645 2/20 0.61
▸ DRD3 P35462 2/20 0.61
▸ HTR6 P50406 2/20 0.61
▸ SLC6A3 Q01959 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ IDH1 O75874 1/20 0.61

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
SCHEMBL15788576 0.90 ESR1 (0.77) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL15788565 0.90 ESR1 (0.77) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL23583980 0.90 ESR1 (0.73) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL21538260 0.90 ESR1 (0.73) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL18872440 0.88 ESR1 (0.81) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL5079405 0.87 ESR1 (0.80) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL1152821 0.87 ESR1 (0.80) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL1152819 0.87 ESR1 (0.80) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL14680644 0.87 ESR1 (0.82) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL15788563 0.84 ESR1 (0.79) ESR1EBPKMT2AKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981906-B2 Trans-clomiphene metabolites and uses thereof REPROS THERAPEUTICS INC. (US) 2018-05-29 — — US disclosed
US-20140163114-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF REPROS THERAPEUTICS INC. (US) 2014-06-12 — — US disclosed
US-20140163114-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF REPROS THERAPEUTICS INC. (US) 2014-06-12 — — 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-20140163114-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF SHBG, CYP19A1, HMGCR ESR1 111/4885EBP 423/4885KMT2A 665/4885

“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.

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