SCHEMBL980304

SCHEMBL980304

CCCCCCc1cc[c]c(CC)c1CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
EP300 Q09472 1/20 0.36

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
SCHEMBL981521 0.98 TYR (0.38) TYRLIPGTP53CYP3A4MEN1
SCHEMBL2962837 0.93 LIPG (0.39) TYRLIPGTP53CYP3A4MEN1
SCHEMBL816883 0.93 TYR (0.34) TYRLIPGHTT
SCHEMBL2974747 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1
SCHEMBL2970087 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1
SCHEMBL2966311 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1
SCHEMBL4593571 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1
SCHEMBL816136 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1
SCHEMBL2966148 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1
SCHEMBL1021911 0.91 TYR (0.41) TYRLIPGTP53CYP3A4MEN1

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 28/4885TP53 1912/4885

“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.