SCHEMBL17214862

SCHEMBL17214862

COc1ccc(C(F)(F)F)cc1-c1ccc(C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
SLC9A1 P19634 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CASR P41180 2/20 0.37
CTSA P10619 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4A P27815 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL18539952 0.82 ALDH1A1 (0.41) MAPTALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL20821542 0.81 NOTUM (0.49) MAPTALDH1A1HPGDSLC9A1PTGDR2
SCHEMBL266467 0.78 PTPN1 (0.47) SMN1; SMN2PDE2A
SCHEMBL24072859 0.74 CTSA (0.49) MAPTALDH1A1HPGDKDM4ETSHR
SCHEMBL169247 0.73 GAA (0.55) MAPTKDM4EL3MBTL1RAB9ANPSR1
SCHEMBL23292633 0.72 L3MBTL1 (0.43) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10028056 0.72 ALDH1A1 (0.60) MAPTALDH1A1HPGDKDM4ETSHR
SCHEMBL3641254 0.71 PTGDR2 (0.60) PTGDR2CASRCTSA
SCHEMBL320158 0.71 PDE2A (0.42) L3MBTL1RAB9APTGDR2CASRCTSA
SCHEMBL4432021 0.71 CETP (0.39) MAPTALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 MAPT 4029/4885ALDH1A1 4741/4885HPGD 2605/4885

“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.