SCHEMBL9965463

SCHEMBL9965463

CC(=O)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2)CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
P2RX7 Q99572 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
HSD11B1 P28845 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.37
MGLL Q99685 1/20 0.36
ABCB11 O95342 2/20 0.36
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.35
CXCR2 P25025 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
SCHEMBL9965374 0.87 PKM (0.38) EPHX2KDM4EGAAPKML3MBTL1
SCHEMBL643314 0.84 ABCB11 (0.38) EPHX2KDM4EGAAPKML3MBTL1
SCHEMBL10173956 0.84 ABCB11 (0.38) EPHX2KDM4EGAAPKML3MBTL1
SCHEMBL9965480 0.81 L3MBTL1 (0.39) KDM4EGAAPKML3MBTL1TDP1
SCHEMBL643978 0.81 MAPT (0.48) KDM4EGAAPKMKMT2ALMNA
SCHEMBL9965476 0.80 HRH1 (0.42) P2RX7KDM4EHSD11B1LMNASMN1; SMN2
SCHEMBL10173975 0.78 MAPT (0.45) KDM4EPKMKMT2ASMN1; SMN2
SCHEMBL5149687 0.78 MAPT (0.45) KDM4EPKMKMT2ASMN1; SMN2
SCHEMBL14639728 0.76 EPHX2 (0.40) EPHX2HSD11B1KMT2AMEN1POLB
SCHEMBL9965409 0.75 MEN1 (0.52) KMT2AMEN1LMNANPSR1MGLL

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 EPHX2 781/4885P2RX7 777/4885KDM4E 2751/4885

“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.