SCHEMBL981990

SCHEMBL981990

CCCCCc1cc[c]c(CCCC)c1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.38
LIPG Q9Y5X9 1/20 0.36
ALOX5 P09917 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 2/20 0.33
PPARA Q07869 1/20 0.32
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 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
SCHEMBL815293 1.00 TYR (0.38) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2966081 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2967957 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2973974 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2972599 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL815591 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2973976 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2972345 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2970338 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4
SCHEMBL2202025 0.98 TYR (0.40) TYRLIPGALOX5TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH TYR 582/4885LIPG 28/4885ALOX5 1229/4885

“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.