SCHEMBL981570

SCHEMBL981570

CCCCCC(c1[c]cccc1)C(CCC)CCCC

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CSNK1E P49674 1/20 0.31
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CNR2 P34972 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL2201850 0.98 PRSS1 (0.33) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL2203751 0.98 PRSS1 (0.33) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL983760 0.97 PRSS1 (0.33) PRSS1PRSS2PRSS3CSNK1ECNR2
SCHEMBL982147 0.95 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL2202022 0.95 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1ECA2
SCHEMBL982090 0.95 CA2 (0.32) CA2ALDH1A1CYP3A4
SCHEMBL982471 0.91 PRSS1 (0.34) PRSS1PRSS2PRSS3CSNK1ECA2
SCHEMBL981195 0.91 PRSS1 (0.34) PRSS1PRSS2PRSS3CSNK1ECA2
SCHEMBL982624 0.90 PRSS1 (0.36) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL983665 0.90 PRSS1 (0.36) PRSS1PRSS2PRSS3CSNK1ECA2

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 PRSS1 2230/4885PRSS2 1415/4885PRSS3 2587/4885

“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.