SCHEMBL9965416

SCHEMBL9965416

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 1/20 0.53
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.47
POLB P06746 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
MGLL Q99685 1/20 0.46
SCN1A P35498 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
KDM4E B2RXH2 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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 0.90 GAA (0.55) GAAPKMKMT2AACHEBACE1
SCHEMBL641303 0.90 GAA (0.57) GAAPKMKMT2AACHEBACE1
SCHEMBL642298 0.89 GAA (0.54) GAAPKMKMT2AACHEBACE1
SCHEMBL9965380 0.88 GAA (0.55) GAAPKMKMT2AACHEBACE1
SCHEMBL9965370 0.88 ACHE (0.66) GAAPKMKMT2AACHEBACE1
SCHEMBL14639655 0.87 GAA (0.52) GAAPKMKMT2AACHEBACE1
SCHEMBL9965384 0.87 GAA (0.54) GAAPKMKMT2AACHEBACE1
SCHEMBL9965373 0.86 EPHX2 (0.52) GAAPKMKMT2AACHEBACE1
SCHEMBL643168 0.86 GAA (0.60) GAAPKMKMT2AACHEBACE1
SCHEMBL640944 0.83 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.