SCHEMBL9965405

SCHEMBL9965405

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
PTPN1 P18031 1/20 0.51
POLB P06746 4/20 0.49
KMT2A Q03164 1/20 0.48
LIPE Q05469 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.43
P2RY1 P47900 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NAMPT P43490 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL9965373 0.91 EPHX2 (0.52) GAAPKMPTPN1POLBKMT2A
SCHEMBL9965460 0.89 POLB (0.50) GAAPKMPTPN1POLBKMT2A
SCHEMBL9965424 0.88 GAA (0.52) GAAPKMPOLBKMT2ALIPE
SCHEMBL9965371 0.88 EPHX2 (0.55) GAAPKMPOLBKMT2ALIPE
SCHEMBL14639696 0.87 PTPN1 (0.49) GAAPKMPTPN1POLBKMT2A
SCHEMBL641303 0.86 GAA (0.57) GAAPKMPOLBKMT2ALIPE
SCHEMBL641560 0.84 GAA (0.54) GAAPKMPTPN1KMT2ALIPE
SCHEMBL10173900 0.83 PTPN1 (0.53) GAAPKMPTPN1POLBKMT2A
SCHEMBL9965422 0.83 ACHE (0.66) GAAPKMPTPN1KMT2ALIPE
SCHEMBL9965461 0.83 GAA (0.55) GAAPKMPTPN1POLBKMT2A

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 3744/4885PTPN1 2512/4885

“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.