SCHEMBL9965371

SCHEMBL9965371

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.55
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
LIPE Q05469 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MGLL Q99685 1/20 0.44
P2RY1 P47900 1/20 0.44

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
SCHEMBL9965372 0.91 GAA (0.55) EPHX2GAAPKMKMT2ATRPV1
SCHEMBL641303 0.89 GAA (0.57) EPHX2GAAPKMKMT2AACHE
SCHEMBL9965405 0.88 GAA (0.51) EPHX2GAAPKMKMT2ATRPV1
SCHEMBL641560 0.86 GAA (0.54) EPHX2GAAPKMKMT2AACHE
SCHEMBL9965461 0.85 GAA (0.55) EPHX2GAAPKMKMT2AACHE
SCHEMBL9965422 0.85 ACHE (0.66) GAAPKMKMT2AACHEBACE1
SCHEMBL9965424 0.85 GAA (0.52) EPHX2GAAPKMKMT2AACHE
SCHEMBL9965446 0.84 GAA (0.54) EPHX2GAAPKMKMT2AACHE
SCHEMBL9965428 0.82 GAA (0.53) GAAPKMKMT2ATRPV1ACHE
SCHEMBL9965416 0.81 GAA (0.57) EPHX2GAAPKMKMT2ATRPV1

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 EPHX2 781/4885GAA 4841/4885PKM 3744/4885

“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.