SCHEMBL9965461

SCHEMBL9965461

O=C(Nc1ccccc1Oc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
EPHX2 P34913 7/20 0.50
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LIPE Q05469 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 3/20 0.44
CHRM4 P08173 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL9965446 0.99 GAA (0.54) GAAPKMEPHX2KMT2ASMN1; SMN2
SCHEMBL9965380 0.90 GAA (0.55) GAAPKMEPHX2KMT2ASMN1; SMN2
SCHEMBL9965384 0.89 GAA (0.54) GAAPKMEPHX2KMT2ASMN1; SMN2
SCHEMBL641303 0.88 GAA (0.57) GAAPKMEPHX2KMT2ASMN1; SMN2
SCHEMBL9965422 0.86 ACHE (0.66) GAAPKMKMT2ALIPEACHE
SCHEMBL641560 0.85 GAA (0.54) GAAPKMEPHX2KMT2ALIPE
SCHEMBL9965371 0.85 EPHX2 (0.55) GAAPKMEPHX2KMT2ALIPE
SCHEMBL9965424 0.83 GAA (0.52) GAAPKMEPHX2KMT2ALIPE
SCHEMBL9965405 0.83 GAA (0.51) GAAPKMEPHX2KMT2ALIPE
SCHEMBL10173892 0.82 GAA (0.54) GAAPKMKMT2ASMN1; SMN2ACHE

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 3744/4885EPHX2 781/4885

“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.