SCHEMBL770351

SCHEMBL770351

CC(C)(C)CCCSCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CES1 P23141 2/20 0.43
CA2 P00918 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS1 P29475 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6685035 0.81 L3MBTL1 (0.48) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL770505 0.81 CALM1 (0.45) L3MBTL1ALDH1A1ALOX15SIGMAR1
SCHEMBL770348 0.80 PPARA (0.37) CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4742953 0.79 MAOA (0.52) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL577806 0.78 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19CES1CA2
SCHEMBL577035 0.77 CA2 (0.62) CYP1A2CYP2D6CYP2C19CA2NOS1
SCHEMBL315316 0.77 ALDH1A1 (0.48) CYP2D6ALDH1A1HPGDALOX15ALOX12
SCHEMBL29738636 0.76 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CES1CA2
SCHEMBL770488 0.76
Ammonia Solution, Strong SCHEMBL11662020 0.74 ALDH1A1 (0.46) CYP2D6ALDH1A1HPGDALOX15ALOX12

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-9217921-B2 Resist underlayer film forming composition containing silicon having sulfide bond NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20120070994-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING SULFIDE BOND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-22 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-20120070994-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING SULFIDE BOND SMC3, SRSF3, SRSF9 CYP1A2 2231/4885CYP2D6 3040/4885CYP2C19 965/4885

“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.