SCHEMBL3183725

SCHEMBL3183725

Oc1c(Br)c(C(F)(F)F)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ TRPM4 Q8TD43 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ERN1 O75460 1/20 0.37

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
SCHEMBL5372557 0.78 HSD17B1 (0.42) HSD17B1HSD17B2PTPN22TRPM4PTPN1
SCHEMBL3183704 0.76 ESR1 (0.49) HSD17B1HSD17B2BACE1CYP1A2CYP2D6
SCHEMBL31290232 0.75 POLB (0.47) POLBPTPN22TRPM4CYP1A2CYP2D6
SCHEMBL27984726 0.75 TRPM4 (0.56) POLBPTPN22TRPM4CYP1A2HPGD
SCHEMBL30023913 0.75 TRPM4 (0.56) POLBPTPN22TRPM4CYP1A2HPGD
SCHEMBL4886000 0.75 POLB (0.47) POLBPTPN22TRPM4CYP1A2CYP2D6
SCHEMBL11785040 0.73 CYP2D6 (0.50) HSD17B1HSD17B2PTPN1CYP2D6CASP6
SCHEMBL23155051 0.73 POLB (0.45) POLBPTPN22TRPM4CYP1A2HPGD
SCHEMBL7304753 0.73 HSD17B10 (0.59) POLBPTPN22CYP1A2CYP2D6CYP2C9
SCHEMBL1538564 0.72 BACE1 (0.48) HSD17B1HSD17B2POLBTRPM4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649093-B2 (2E)-3-[4-[(6-hydroxy-3-methyl-2-phenyl-1-naphthalenyl)oxy]-2-(trifluoromethyl)phenyl]-2-propenoic acid; menopausal or postmenopausal disorders, vasomotor symptoms, vaginal atrophy, atrophic vaginitis, endometriosis, female sexual dysfunction, breast cancer, depression, diabetes, osteoporosis Glaxo Smith Kline LLC (US) 2010-01-19 — — US disclosed
US-20070276000-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2007-11-29 — — US disclosed
CN-101006042-A Chemical compounds SMITHKLINE BEECHAM CORP (US) 2007-07-25 — — CN disclosed
EP-1773750-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-18 — — EP disclosed
WO-2006002185-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 — — WO 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-20070276000-A1 CHEMICAL COMPOUNDS GPER1, ESR2, ESR1 HSD17B1 64/4885HSD17B2 34/4885POLB 4354/4885

“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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