SCHEMBL770505

SCHEMBL770505

COc1ccc(CCSCCCC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MAOB P27338 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AOC3 Q16853 1/20 0.40
GAA P10253 1/20 0.40
F2RL1 P55085 1/20 0.39
CHRM2 P08172 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL770348 0.86 PPARA (0.37) CALM1ALDH1A1
SCHEMBL6011833 0.84 TAAR1 (0.59) CALM1TAAR1MAOBKDM4EALDH1A1
SCHEMBL10025199 0.83 CALM1 (0.58) CALM1TAAR1MAOBIGF1RALOX15
SCHEMBL13781500 0.81 CALM1 (0.56) CALM1TAAR1MAOBIGF1RALOX15
SCHEMBL770351 0.81 CYP1A2 (0.52) ALDH1A1ALOX15SIGMAR1L3MBTL1
SCHEMBL1754089 0.79 TAAR1 (0.57) CALM1TAAR1MAOBLTA4HSIGMAR1
SCHEMBL17354072 0.77 CALM1 (0.45) CALM1TAAR1MAOBKDM4EALDH1A1
SCHEMBL769798 0.76 CALM1 (0.44) CALM1TAAR1MAOBKDM4EALDH1A1
SCHEMBL14600315 0.75 CALM1 (0.44) CALM1TAAR1MAOBALDH1A1LTA4H
SCHEMBL769794 0.74 CALM1 (0.45) CALM1TAAR1KDM4EALDH1A1IGF1R

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 CALM1 3261/4885TAAR1 3358/4885MAOB 2844/4885

“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.