SCHEMBL982136

SCHEMBL982136

CCCCc1cc[c]c(-c2ccccc2)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
LIPG Q9Y5X9 1/20 0.37
TSHR P16473 1/20 0.36
NR1H3 Q13133 1/20 0.35
GCGR P47871 2/20 0.35
TYR P14679 1/20 0.34
PSMB5 P28074 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL984059 0.87 KDM4E (0.37)
SCHEMBL982519 0.80 LIPG (0.39) HSD11B1LIPGTSHRNR1H3TYR
SCHEMBL11191124 0.79 ALDH1A1 (0.43) TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL983062 0.76 SMN1; SMN2 (0.33) GCGRADORA3
SCHEMBL817129 0.75 TYR (0.36) LIPGTSHRTYRTLR8CYP3A4
SCHEMBL981932 0.75 LIPG (0.45) HSD11B1LIPGTSHRNR1H3TYR
SCHEMBL983505 0.74 LIPG (0.47) LIPGTSHRNR1H3TYRGPR84
SCHEMBL8566183 0.74 LIPG (0.47) LIPGTSHRNR1H3TYRGPR84
SCHEMBL17802345 0.74 LIPG (0.47) LIPGTSHRNR1H3TYRGPR84
SCHEMBL430510 0.74 TYR (0.35) LIPGTSHRTYRTLR8CYP3A4

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 HSD11B1 2188/4885LIPG 28/4885TSHR 4853/4885

“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.