SCHEMBL9965480

SCHEMBL9965480

CCCCC1CC(Nc2ccccc2Oc2ccc(Cl)cc2)CCN1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ABCB11 O95342 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
LMNA P02545 1/20 0.35
PTBP1 P26599 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL9965374 0.84 PKM (0.38) L3MBTL1ALDH1A1ABCB11TDP1LMNA
SCHEMBL643314 0.81 ABCB11 (0.38) L3MBTL1POLBABCB11TDP1LMNA
SCHEMBL10173956 0.81 ABCB11 (0.38) L3MBTL1POLBABCB11TDP1LMNA
SCHEMBL9965463 0.81 EPHX2 (0.40) L3MBTL1POLBABCB11TDP1LMNA
SCHEMBL643978 0.78 MAPT (0.48) ALDH1A1TSHRLMNAKDM4EKMT2A
SCHEMBL10173975 0.75 MAPT (0.45) ALDH1A1KDM4EKMT2AMAPTSLC6A2
SCHEMBL5149687 0.75 MAPT (0.45) ALDH1A1KDM4EKMT2AMAPTSLC6A2
SCHEMBL18141878 0.73 POLB (0.45) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10174259 0.72 NOS2 (0.50) L3MBTL1ATMALDH1A1TSHRLMNA
SCHEMBL641861 0.72 NOS2 (0.50) L3MBTL1ATMALDH1A1TSHRLMNA

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 L3MBTL1 2752/4885POLB 3790/4885ATM 2968/4885

“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.