SCHEMBL9965374

SCHEMBL9965374

CC(=O)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2)CC1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB11 O95342 2/20 0.37
MGLL Q99685 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPY1R P25929 1/20 0.35
RECQL P46063 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL643314 0.87 ABCB11 (0.38) PKMGAAL3MBTL1TDP1ABCB11
SCHEMBL10173956 0.87 ABCB11 (0.38) PKMGAAL3MBTL1TDP1ABCB11
SCHEMBL9965463 0.87 EPHX2 (0.40) PKMGAAL3MBTL1TDP1ABCB11
SCHEMBL9965480 0.84 L3MBTL1 (0.39) PKMGAAL3MBTL1TDP1ABCB11
SCHEMBL643978 0.84 MAPT (0.48) PKMGAAKMT2AKDM4EALDH1A1
SCHEMBL10173975 0.80 MAPT (0.45) PKMKMT2AKDM4EALDH1A1SLC6A2
SCHEMBL5149687 0.80 MAPT (0.45) PKMKMT2AKDM4EALDH1A1SLC6A2
SCHEMBL9965411 0.77 LMNA (0.46) L3MBTL1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL9965423 0.77 ALDH1A1 (0.41) PKMGAAL3MBTL1TDP1ABCB11
SCHEMBL9965409 0.75 MEN1 (0.52) MGLLKMT2AMEN1ALDH1A1LMNA

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 PKM 3744/4885GAA 4841/4885L3MBTL1 2752/4885

“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.