SCHEMBL84895

SCHEMBL84895

CCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.78
CYP3A4 P08684 4/20 0.78
ESR1 P03372 12/20 0.76
ESR2 Q92731 8/20 0.74
MAPT P10636 3/20 0.74
PSMB1 P20618 3/20 0.74
CYP1A2 P05177 2/20 0.74
MEN1 O00255 2/20 0.74
TP53 P04637 2/20 0.74
KMT2A Q03164 2/20 0.74
PSMB5 P28074 2/20 0.74
NPC1 O15118 1/20 0.74
NR1I2 O75469 1/20 0.74
PRKD3 O94806 1/20 0.74
ABCB11 O95342 1/20 0.74
EGFR P00533 1/20 0.74
GBA1 P04062 1/20 0.74
NR3C1 P04150 1/20 0.74
ERBB2 P04626 1/20 0.74
PRKCG P05129 1/20 0.74

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
SCHEMBL16579225 1.00 CYP19A1 (0.78) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL16233656 0.94 CYP19A1 (0.82) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL16579226 0.94 CYP19A1 (0.70) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL26775470 0.93 ESR1 (0.82) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL11370966 0.89 CYP19A1 (0.89) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL4620166 0.89 CYP19A1 (0.89) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL4620164 0.89 CYP19A1 (0.89) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL18291054 0.88 ESR1 (0.82) CYP19A1CYP3A4ESR1ESR2MAPT
SCHEMBL7654138 0.88 CYP19A1 (0.74) CYP19A1CYP3A4ESR1ESR2MAPT
Desmethyl Tamoxifen SCHEMBL1110844 0.88 CYP19A1 (1.00) CYP19A1CYP3A4ESR1ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822955-B1 BORON-BASED 4-HYDROXYTAMOXIFEN AND ENDOXIFEN PRODRUGS AS TREATMENT FOR BREAST CANCER XAVIER UNIV (US) 2017-07-26 EP disclosed
US-20150216989-A1 MULTI-DAY DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES SAMOS PHARMACEUTICALS, INC. (US) 2015-08-06 US disclosed
US-8992977-B2 Multi-day delivery of biologically active substances SAMOS PHARMACEUTICALS, LLC (US) 2015-03-31 US disclosed
US-8128945-B2 Drug delivery system targeting to estrogen receptor over-expressed cells INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-03-06 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-20150216989-A1 MULTI-DAY DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES GUSB, SERPINA6, CD44 CYP19A1 2452/4885CYP3A4 3497/4885ESR1 3448/4885

“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.