SCHEMBL1977286

SCHEMBL1977286

C[C@]12CC[C@@H]3c4ccc(O)cc4C(=O)C[C@H]3[C@@H]1CCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 1.00
CYP19A1 P11511 14/20 0.67
STS P08842 3/20 0.67
LMNA P02545 2/20 0.67
ESR1 P03372 2/20 0.67
AKR1B10 O60218 1/20 0.67
SHBG P04278 1/20 0.67
CYP1A2 P05177 1/20 0.67
PGR P06401 1/20 0.67
SERPINA6 P08185 1/20 0.67
CYP3A4 P08684 1/20 0.67
AR P10275 1/20 0.67
MAPT P10636 1/20 0.67
AKR1B1 P15121 1/20 0.67
NFKB1 P19838 1/20 0.67
SLC6A4 P31645 1/20 0.67
OPRM1 P35372 1/20 0.67
SNCA P37840 1/20 0.67
HTR2B P41595 1/20 0.67
BLM P54132 1/20 0.67

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
SCHEMBL12379610 1.00 HSD17B1 (1.00) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL7176305 0.89 HSD17B1 (0.80) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL12593631 0.88 HSD17B1 (0.79) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL8205348 0.88 HSD17B1 (0.79) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL7921186 0.86 HSD17B1 (0.76) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL7921185 0.86 HSD17B1 (0.76) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL2835007 0.85 HSD17B1 (0.74) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL2564664 0.84 HSD17B1 (0.72) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL12379608 0.83 HSD17B1 (0.71) HSD17B1CYP19A1STSLMNAESR1
SCHEMBL1981989 0.83 HSD17B1 (0.71) HSD17B1CYP19A1STSLMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4391968-A1 OCULAR DEVICE AND METHODS Vinci Pharmaceuticals, Inc. (US) 2024-07-03 EP disclosed
US-20230279170-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2023-09-07 US disclosed
WO-2023028600-A1 OCULAR DEVICE AND METHODS VINCI PHARMACEUTICALS, INC. (US) 2023-03-02 WO disclosed
WO-2015161078-A1 METHODS FOR COMPREHENSIVE PROFILING OF STEROID METABOLOME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-22 WO disclosed
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 US disclosed
EP-2336146-A1 17beta-hydroxysteroid dehydrogenase inhibitors Sterix Limited (GB) 2011-06-22 EP disclosed
CN-100526328-C 17 beta-hydroxysteroid dehydrogenase inhibitors STERIX LTD (GB) 2009-08-12 CN disclosed
CN-1791611-A 17beta-hydroxysteroid dehydrogenase inhibitors. STERIX LTD (GB) 2006-06-21 CN disclosed
US-20060074060-A1 Compound STERIX LIMITED (GB) 2006-04-06 US disclosed
EP-1631579-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2006-03-08 EP disclosed
WO-2004085457-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2004-10-07 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-20060074060-A1 Compound HAT1, CBR3, ADH5 HSD17B1 687/4885CYP19A1 1234/4885STS 323/4885

“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.