SCHEMBL9965384

SCHEMBL9965384

O=C(Nc1ccccc1Oc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
RXFP1 Q9HBX9 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.48
ENPP3 O14638 4/20 0.46
ENPP2 Q13822 3/20 0.46
ENPP1 P22413 3/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
RHOA P61586 1/20 0.45
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 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
SCHEMBL9965380 0.99 GAA (0.55) GAAPKMRXFP1SMN1; SMN2KMT2A
SCHEMBL9965446 0.90 GAA (0.54) GAAPKMSMN1; SMN2KMT2APTPN1
SCHEMBL9965461 0.89 GAA (0.55) GAAPKMSMN1; SMN2KMT2APTPN1
SCHEMBL9965416 0.87 GAA (0.57) GAAPKMRXFP1SMN1; SMN2KMT2A
SCHEMBL9965372 0.85 GAA (0.55) GAAPKMRXFP1KMT2AACHE
SCHEMBL9965370 0.85 ACHE (0.66) GAAPKMKMT2APTPN1ACHE
SCHEMBL642298 0.84 GAA (0.54) GAAPKMKMT2APTPN1ACHE
SCHEMBL14639655 0.83 GAA (0.52) GAAPKMRXFP1KMT2AACHE
SCHEMBL9965459 0.82 GAA (0.53) GAAPKMSMN1; SMN2KMT2APTPN1
SCHEMBL9965373 0.82 EPHX2 (0.52) GAAPKMKMT2APTPN1ACHE

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 3744/4885RXFP1 540/4885

“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.