SCHEMBL2738482

SCHEMBL2738482

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](CNC(=O)c1ccc(F)cc1)CC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 5/20 0.50
▸ STS P08842 4/20 0.50
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ AKR1B10 O60218 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ SERPINA6 P08185 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ AR P10275 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ SNCA P37840 1/20 0.50
▸ HTR2B P41595 1/20 0.50

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
SCHEMBL218523 1.00 HSD17B1 (0.50) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL218522 1.00 HSD17B1 (0.50) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL217615 0.89 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL217616 0.89 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL2738559 0.89 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL14087307 0.88 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL216602 0.83 STS (0.58) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL216601 0.83 STS (0.58) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL254557 0.83 HSD17B1 (0.59) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL5016471 0.82 HSD17B1 (0.56) HSD17B1STSESR1ESR2AKR1B10

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-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — 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-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 HSD17B1 3/4885STS 1/4885ESR1 206/4885

“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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