SCHEMBL984369

SCHEMBL984369

CCCCCc1[c]ccc(CC)c1CCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
PPARA Q07869 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL983749 0.98 TYR (0.36) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL981197 0.98 TYR (0.36) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL982625 0.98 TYR (0.36) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL15229804 0.97 TYR (0.37) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL982472 0.97 TYR (0.37) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL983666 0.97 TYR (0.37) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL2204608 0.97 TYR (0.37) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL979965 0.93 ALDH1A1 (0.32) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL980853 0.92 LIPG (0.34) TYRALDH1A1LIPGKDM4EHSD17B10
SCHEMBL981928 0.92 LIPG (0.34) TYRALDH1A1LIPGKDM4EHSD17B10

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 582/4885ALDH1A1 2204/4885LIPG 28/4885

“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.