SCHEMBL15417752

SCHEMBL15417752

CCOc1ccc(F)cc1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CACNA1C Q13936 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.42
MRGPRX1 Q96LB2 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL23188908 0.85 HTR2C (0.48) L3MBTL1MAPTNPSR1KDM4EHTR2A
SCHEMBL16960532 0.85 MAPK1 (0.43) L3MBTL1MAPTNPSR1MAPK1CYP1A2
SCHEMBL15713604 0.84 L3MBTL1 (0.52) L3MBTL1MAPTNPSR1MAPK1CYP1A2
SCHEMBL17423613 0.84 MAPK1 (0.43) L3MBTL1MAPTNPSR1MAPK1CYP1A2
SCHEMBL321697 0.83 KDM4E (0.53) KDM4EHTR2ASLC6A4KCNH2GAA
SCHEMBL30785121 0.83 KDM4E (0.53) KDM4EHTR2ASLC6A4KCNH2GAA
SCHEMBL11919293 0.83 L3MBTL1 (0.45) L3MBTL1MAPTNPSR1CYP1A2CYP2D6
SCHEMBL23229170 0.83 HSD17B10 (0.51) L3MBTL1MAPK1TSHRMRGPRX1MEN1
SCHEMBL18914636 0.82 LTB4R (0.46) L3MBTL1MAPTNPSR1KDM4EKCNH2
SCHEMBL16741066 0.82 CTSS (0.46) L3MBTL1MAPTKDM4EHTR2ASLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US 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 (2 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-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 L3MBTL1 3253/4885MAPT 4200/4885NPSR1 484/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 L3MBTL1 3253/4885MAPT 4200/4885NPSR1 484/4885

“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.