SCHEMBL3786327

SCHEMBL3786327

CCNc1ccc(N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 3/20 0.48
HTT P42858 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 3/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 2/20 0.43
HPGD P15428 2/20 0.43
GFER P55789 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PLEC Q15149 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 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
Sulfuric Acid SCHEMBL10825924 0.89 ALDH1A1 (0.56) ALDH1A1GAAHTTALOX15TDP1
SCHEMBL3784016 0.86 CYP3A4 (0.46) ALDH1A1GAAHTTALOX15TDP1
SCHEMBL25866513 0.84 ALDH1A1 (0.46) ALDH1A1GAAHTTALOX15TDP1
SCHEMBL11315849 0.81 TLR8 (0.46) ALDH1A1GAAHTTALOX15TDP1
SCHEMBL3317973 0.81 SMN1; SMN2 (0.56) ALDH1A1GAACYP3A4TSHRCA1
SCHEMBL14878651 0.81 GAA (0.58) ALDH1A1GAAHTTCYP3A4TSHR
SCHEMBL2722708 0.79 ALDH1A1 (0.48) ALDH1A1GAAHTTALOX15CYP3A4
SCHEMBL3780756 0.79 ALDH1A1 (0.46) ALDH1A1GAAHTTTDP1CYP3A4
SCHEMBL8293199 0.79 LMNA (0.47) ALDH1A1GAAHTTCYP3A4TSHR
Hydrochloric Acid SCHEMBL3399550 0.79 SMN1; SMN2 (0.54) ALDH1A1GAACYP3A4TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 US claimed
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-4566875-A HAIR DYES L'OREAL (FR) 1986-01-28 US disclosed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US disclosed
US-4295848-A Composition for hair dyeing which contains a para base and an ortho base L'OREAL (FR) 1981-10-20 US disclosed
US-4289495-A HAIR DYES, STORAGE STABILITY L'OREAL (FR) 1981-09-15 US disclosed
US-4268264-A ORTHO PRECURSORS SELECTED FROM AROMATIC DIAMINES, AMINOPHENOL, DIPHENOL, AND PHENYLENEDIAMINE L'OREAL (FR) 1981-05-19 US disclosed
US-4047888-A N-VINYLPYRROLIDONE-DIMETHYLAMINOETHYL METHACRYLATE COPOLYMER, POLYOXYETHYLENE GLYCOL L'OREAL (FR) 1977-09-13 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 ALDH1A1 4339/4885GAA 1755/4885HTT 3090/4885

“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.