SCHEMBL981201

SCHEMBL981201

CCCc1cc[c]c(Oc2ccccc2)c1CCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
HRH1 P35367 1/20 0.33
RIPK1 Q13546 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
BCL2L2 Q92843 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
SCHEMBL982283 0.93 LTA4H (0.41) LTA4HALDH1A1GAAMAPTBCL2L2
SCHEMBL981916 0.92 LTA4H (0.37) LTA4HKDM4EALDH1A1GAAHPGD
SCHEMBL980128 0.91 LTA4H (0.42) LTA4HHRH1SLC6A2SLC6A4PPARG
SCHEMBL984698 0.88 LTA4H (0.42) LTA4HALDH1A1GAATSHRMAPT
SCHEMBL983863 0.84 LTA4H (0.38) LTA4HKDM4EALDH1A1GAAHPGD
SCHEMBL982031 0.84 LTA4H (0.41) LTA4HALDH1A1TSHRMAPT
SCHEMBL983303 0.82 LTA4H (0.42) LTA4HPPARGPPARA
SCHEMBL981223 0.81 LTA4H (0.40) LTA4HTSHRHRH1RIPK1SLC6A2
SCHEMBL983989 0.81 LTA4H (0.38) LTA4HKDM4EALDH1A1GAAHPGD
SCHEMBL982120 0.77 LTA4H (0.44) LTA4HALDH1A1GAATSHRMAPT

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 LTA4H 1039/4885KDM4E 1003/4885ALDH1A1 2204/4885

“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.