SCHEMBL981200

SCHEMBL981200

CCCc1cccc(Oc2[c]cccc2)c1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
HTR1A P08908 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
AR P10275 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
PPARD Q03181 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
PPARG P37231 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
SCHEMBL981222 0.89 SLC6A2 (0.41) LTB4RLTB4R2SLC6A2SLC6A4SLC6A3
SCHEMBL984696 0.88 PTGS2 (0.39) LTB4RLTB4R2ALOX5PTGS2PPARG
SCHEMBL983988 0.81 L3MBTL1 (0.37) SLC6A2SLC6A4SLC6A3HTR1ANISCH
SCHEMBL983437 0.80 THRA (0.40) ALOX5PTGS2TAAR1PPARA
SCHEMBL28541193 0.80 LTB4R (0.44) LTB4RLTB4R2SLC6A2SLC6A4SLC6A3
SCHEMBL979986 0.79 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL983871 0.79 THRA (0.45) ALOX5PTGS2PPARGPPARA
SCHEMBL983947 0.78 THRA (0.47) ALOX5PTGS2PPARGPPARA
SCHEMBL2862516 0.76 LTB4R (0.41) LTB4RLTB4R2HTR1AALOX5PTGS2
SCHEMBL1835083 0.74 LTB4R (0.48) LTB4RLTB4R2ALOX5PTGS2PPARD

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 LTB4R 2684/4885LTB4R2 2286/4885SLC6A2 4820/4885

“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.