SCHEMBL3784729

SCHEMBL3784729

CC(C)(C)Oc1cc(N)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
SYK P43405 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 4/20 0.35
PLA2G7 Q13093 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3802892 0.83 CYP3A4 (0.48) CYP3A4TSHRCA1CA2GAA
SCHEMBL12012110 0.83 ALDH1A1 (0.41) CYP3A4TSHRGAAMAPTMAPK1
SCHEMBL2228780 0.82 SYK (0.40) CYP3A4TSHRSYKCA1CA2
SCHEMBL1555931 0.82 CYP3A4 (0.46) CYP3A4TSHRSYKCA1CA2
SCHEMBL11525687 0.81 MAPT (0.39) CYP3A4TSHRGAAMAPTMAPK1
SCHEMBL110433 0.78 MAPT (0.55) CYP3A4TSHRSYKGAAMAPT
SCHEMBL12001793 0.77 ALDH1A1 (0.48) CYP3A4TSHRGAAMAPTMAPK1
SCHEMBL3790261 0.77 KIF11 (0.41) CYP3A4CA1CA2MAPTHTR2A
Hydrochloric Acid SCHEMBL1143381 0.77 MAPT (0.53) CYP3A4TSHRSYKGAAMAPT
Hydrochloric Acid SCHEMBL3661737 0.75 MAPT (0.52) CYP3A4TSHRSYKGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885SYK 2178/4885

“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.