SCHEMBL4254509

SCHEMBL4254509

CCC(c1ccc(O)cc1)C(CC)c1ccc(OP(=O)(O)OP(=O)(O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.54
LMNA P02545 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CHRM1 P11229 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54

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
SCHEMBL209725 0.88 ESR1 (0.61) ESR1LMNACYP2C19CYP1A2PGR
SCHEMBL209724 0.88 ESR1 (0.61) ESR1LMNACYP2C19CYP1A2PGR
SCHEMBL329314 0.83 PTPN1 (0.44) ESR1CYP2C19CYP3A4TDP1ESR2
Hexestrol Diphosphate SCHEMBL4254504 0.81 BLM (0.61) ESR1LMNACYP2C19CYP1A2PGR
Hexestrol Diphosphate SCHEMBL62206 0.81 BLM (0.61) ESR1LMNACYP2C19CYP1A2PGR
SCHEMBL9371 0.81 BLM (0.67) ESR1LMNACYP2C19CYP1A2PGR
SCHEMBL30306312 0.81 BLM (0.67) ESR1LMNACYP2C19CYP1A2PGR
Diethylstilbestrol Diphosphate SCHEMBL8153893 0.81 BLM (0.70) ESR1LMNACYP2C19CYP1A2PGR
Hexestrol SCHEMBL27496510 0.79 ESR1 (0.79) ESR1LMNACYP2C19CYP1A2PGR
SCHEMBL28347692 0.77 CES2 (0.40) LMNABLMMEN1KMT2ASMN1; SMN2

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
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 US disclosed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 WO disclosed
CN-103492590-A Circulating biomarkers CARIS LIFE SCIENCES LUXEMBOURG HOLDINGS S A R L 2014-01-01 CN disclosed
US-20090048667-A1 Controlled Drug-Release Composition and Drug-Releasable Medical Device TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2009-02-19 US disclosed
US-5330767-A Sustained release microcapsule TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-19 US disclosed
EP-0190833-B1 METHOD FOR PRODUCING MICROCAPSULE Takeda Chemical Industries, Ltd. (JP) 1991-03-27 EP disclosed
US-4954298-A Method for producing microcapsule TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-04 US disclosed
EP-0190833-A2 Method for producing microcapsule Takeda Chemical Industries, Ltd. (JP) 1986-08-13 EP 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-20090048667-A1 Controlled Drug-Release Composition and Drug-Releasable Medical Device LDLR, SRR, PLAUR ESR1 3645/4885LMNA 2865/4885CYP2C19 409/4885

“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.