SCHEMBL9965372

SCHEMBL9965372

CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.52
TRPV1 Q8NER1 2/20 0.50
EPHX2 P34913 2/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
SCN1A P35498 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 2/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
MGLL Q99685 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9965371 0.91 EPHX2 (0.55) GAAPKMKMT2ATRPV1EPHX2
SCHEMBL9965416 0.90 GAA (0.57) GAAPKMKMT2ATRPV1EPHX2
SCHEMBL14639655 0.89 GAA (0.52) GAAPKMKMT2ATRPV1ACHE
SCHEMBL9965373 0.89 EPHX2 (0.52) GAAPKMKMT2ATRPV1EPHX2
SCHEMBL642298 0.87 GAA (0.54) GAAPKMKMT2AEPHX2ACHE
SCHEMBL9965380 0.86 GAA (0.55) GAAPKMKMT2AEPHX2ACHE
SCHEMBL9965370 0.86 ACHE (0.66) GAAPKMKMT2AACHEBACE1
SCHEMBL9965384 0.85 GAA (0.54) GAAPKMKMT2AEPHX2ACHE
SCHEMBL9965428 0.83 GAA (0.53) GAAPKMKMT2ATRPV1ACHE
SCHEMBL640944 0.81 GAA (0.62) GAAPKMKMT2AKDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 GAA 4841/4885PKM 3744/4885KMT2A 1997/4885

“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.