SCHEMBL7898375

SCHEMBL7898375

Oc1cccc(-c2ccc(-c3cccc(O)c3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 11/20 1.00
HSD17B2 P37059 10/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2C9 P11712 2/20 1.00
ESR1 P03372 4/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
ESR2 Q92731 3/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2B6 P20813 1/20 0.70
CYP2C19 P33261 1/20 0.70
ABL1 P00519 1/20 0.65
ABCB1 P08183 1/20 0.65
BCR P11274 1/20 0.65
CA12 O43570 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 1/20 0.61
CA5A P35218 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
SCHEMBL8050006 0.97 HSD17B1 (0.94) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL2682114 0.95 HSD17B1 (0.90) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29832647 0.95 HSD17B1 (0.90) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29404406 0.95 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL1180998 0.95 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL70625 0.95 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL7129229 0.95 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29551999 0.94 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL69369 0.94 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
Hydrogen Sulfide SCHEMBL23879303 0.92 HSD17B1 (0.95) HSD17B1HSD17B2CYP3A4CYP2C9ESR1

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
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed
US-6187494-B1 AROMATIC POLYCARBONATE INCLUDING POLYPHENYLENE ETHER PORTIONS; WEAR RESISTANCE RICOH COMPANY, LTD. (JP) 2001-02-13 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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885HSD17B2 3/4885CYP3A4 343/4885

“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.