SCHEMBL982134

SCHEMBL982134

CCCCc1cccc(-c2[c]cccc2)c1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LIPG Q9Y5X9 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ELANE P08246 2/20 0.33
CTSG P08311 2/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
TLR8 Q9NR97 1/20 0.31
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 0.31
KAT8 Q9H7Z6 2/20 0.31
IAPP P10997 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EP300 Q09472 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
SCHEMBL12816417 0.94 NR1H2 (0.46) NR1H2NR1H3LIPGELANECTSG
SCHEMBL984057 0.88 KDM4E (0.32) NR1H2NR1H3ELANECTSG
SCHEMBL982518 0.87 NR1H2 (0.42) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL981930 0.83 NR1H2 (0.48) NR1H2NR1H3LIPGALOX5PTGS2
SCHEMBL17802343 0.81 NR1H2 (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL983504 0.81 NR1H2 (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL8674733 0.80 LIPG (0.41) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL8674994 0.79 LIPG (0.42) NR1H2NR1H3LIPGCYP3A4CYP2D6
SCHEMBL983060 0.78 GABRA1 (0.35) CYP2D6
SCHEMBL983253 0.77 NR1H2 (0.34) NR1H2NR1H3LIPGPPARA

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 NR1H2 4195/4885NR1H3 4172/4885LIPG 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.