SCHEMBL3207368

SCHEMBL3207368

CCCCCCCCCCC(CC)c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CSNK1E P49674 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RGS12 O14924 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 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
SCHEMBL979970 1.00 NR1I2 (0.44) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL982809 1.00 NR1I2 (0.44) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL983279 1.00 NR1I2 (0.44) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL982661 1.00 NR1I2 (0.44) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL9576069 1.00 NR1I2 (0.44) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL983398 1.00 NR1I2 (0.44) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL815246 0.98 NR1I2 (0.42) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL983413 0.93 NR1I2 (0.40) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL982651 0.93 NR1I2 (0.40) NR1I2PRSS1PRSS2PRSS3CSNK1E
SCHEMBL980204 0.93 NR1I2 (0.40) NR1I2PRSS1PRSS2PRSS3CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH NR1I2 4385/4885PRSS1 1130/4885PRSS2 662/4885

“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.