SCHEMBL643314

SCHEMBL643314

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 1/20 0.37
PKM P14618 2/20 0.36
ACACB O00763 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CCR8 P51685 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL10173956 1.00 ABCB11 (0.38) ABCB11L3MBTL1LMNAKMT2AMEN1
SCHEMBL9965374 0.87 PKM (0.38) ABCB11L3MBTL1LMNAKMT2AMEN1
SCHEMBL9965463 0.84 EPHX2 (0.40) ABCB11L3MBTL1LMNAKMT2AMEN1
SCHEMBL9965480 0.81 L3MBTL1 (0.39) ABCB11L3MBTL1LMNAKMT2ASLC6A4
SCHEMBL643978 0.81 MAPT (0.48) LMNAKMT2APKMGAAKDM4E
SCHEMBL9965411 0.79 LMNA (0.46) L3MBTL1LMNAKMT2ASLC6A4HRH3
SCHEMBL5149687 0.78 MAPT (0.45) KMT2ASLC6A4PKMKDM4EHRH3
SCHEMBL10173975 0.78 MAPT (0.45) KMT2ASLC6A4PKMKDM4EHRH3
SCHEMBL9965447 0.76 POLB (0.48) L3MBTL1LMNAKMT2AMEN1PKM
SCHEMBL9965423 0.74 ALDH1A1 (0.41) ABCB11L3MBTL1LMNAKMT2AMEN1

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 7 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-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 ABCB11 1001/4885L3MBTL1 2752/4885LMNA 3969/4885

“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.