SCHEMBL3787158

SCHEMBL3787158

Cc1c(N)cccc1C1=CC=CCC1(C)N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CD44 P16070 1/20 0.32

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
SCHEMBL28424985 0.82 PDCD1 (0.37) TSHRALDH1A1
SCHEMBL22171381 0.80 TP53 (0.31) SMN1; SMN2
Hydrochloric Acid SCHEMBL29213071 0.78 ALDH1A1 (0.31) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL28331283 0.73 CD44 (0.34) ALDH1A1CD44
SCHEMBL30879937 0.73 ALDH1A1 (0.36) CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL28014936 0.71 ALDH1A1 (0.40) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1153470 0.70 MAOA (0.33)
SCHEMBL30839749 0.68 CYP3A4 (0.72) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL2206282 0.68 CYP3A4 (0.72) CYP3A4TSHRPIK3CAALDH1A1HPGD
SCHEMBL23966394 0.67 CYP3A4 (0.42) CYP3A4TSHRPIK3CAALDH1A1HPGD

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 1688/4885PIK3CA 2327/4885

“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.