SCHEMBL2891376

SCHEMBL2891376

Nc1c(CO)ccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP3A4 P08684 1/20 0.43
KEAP1 Q14145 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HPRT1 P00492 2/20 0.42
NCEH1 Q6PIU2 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1556062 0.81 NCEH1 (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL23663727 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5670041 0.79 TAAR1 (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5188455 0.79 TDP1 (0.62) ALDH1A1HSD17B10TDP1HPGDKDM4E
SCHEMBL4931267 0.78 GPR55 (0.47)
SCHEMBL2163226 0.78 ATM (0.45) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL20562371 0.78 PMP22 (0.44) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL30367845 0.77 HSD17B10 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8050013 0.77 HSD17B10 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL4592248 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
CN-101918352-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase STERIX LTD 2010-12-15 CN disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 ALDH1A1 316/4885HSD17B10 12/4885TSHR 669/4885

“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.