SCHEMBL2201850

SCHEMBL2201850

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CSNK1E P49674 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2203751 1.00 PRSS1 (0.33) PRSS1PRSS2PRSS3CSNK1ENR1H2
SCHEMBL981570 0.98 PRSS1 (0.31) PRSS1PRSS2PRSS3CSNK1ENR1H2
SCHEMBL2202022 0.97 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1ENR1H2
SCHEMBL982147 0.97 PRSS1 (0.35) PRSS1PRSS2PRSS3CSNK1ENR1H2
SCHEMBL983760 0.95 PRSS1 (0.33) PRSS1PRSS2PRSS3CSNK1E
SCHEMBL982090 0.94 CA2 (0.32) ALDH1A1
SCHEMBL983665 0.91 PRSS1 (0.36) PRSS1PRSS2PRSS3CSNK1ENR1H2
SCHEMBL982624 0.91 PRSS1 (0.36) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL983748 0.91 PRSS1 (0.36) PRSS1PRSS2PRSS3CSNK1EALDH1A1
SCHEMBL15229802 0.90 PRSS1 (0.37) PRSS1PRSS2PRSS3CSNK1ENR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 US disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US 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-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD PRSS1 2705/4885PRSS2 2090/4885PRSS3 3068/4885

“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.