SCHEMBL3784016

SCHEMBL3784016

CCNc1cc(N)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
RECQL P46063 1/20 0.36
PDE7A Q13946 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL3786327 0.86 ALDH1A1 (0.48) CYP3A4TSHRHSD17B10GAAALDH1A1
SCHEMBL22112765 0.79 LMNA (0.51) CYP3A4TSHRHSD17B10GAAALDH1A1
SCHEMBL3398998 0.79 MEN1 (0.50) TSHRMAPK1GAAHTTTDP1
SCHEMBL8218703 0.78 CYP3A4 (0.60) CYP3A4TSHRGAAALDH1A1HTT
SCHEMBL3789837 0.78 ALDH1A1 (0.46) CYP3A4TSHRHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6518247 0.78 MEN1 (0.48) TSHRMAPK1GAAHTTTDP1
SCHEMBL12895633 0.78 PDK1 (0.41) CYP3A4TSHRMAPK1GAAALDH1A1
Hydrochloric Acid SCHEMBL6852075 0.78 LMNA (0.50) CYP3A4TSHRGAAALDH1A1HTT
SCHEMBL38651108 0.78 CYP3A4 (0.60) CYP3A4TSHRGAAALDH1A1HTT
SCHEMBL3790150 0.77 CYP3A4 (0.52) CYP3A4TSHRMAPK1HSD17B10GAA

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 5 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
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed
EP-0068822-A2 Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1983-01-05 EP disclosed
US-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 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 (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 1688/4885MAPK1 4726/4885

“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.