SCHEMBL981223

SCHEMBL981223

CCCc1ccc[c]c1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
HRH1 P35367 1/20 0.38
RIPK1 Q13546 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
TSHR P16473 1/20 0.35
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
BCL2L2 Q92843 1/20 0.33

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
SCHEMBL983439 0.90 LTA4H (0.45) LTA4HHRH1RIPK1SLC6A2SLC6A4
SCHEMBL983873 0.89 LTA4H (0.45) LTA4HPPARAPPARG
SCHEMBL983948 0.88 LTA4H (0.44) LTA4HPPARAPPARG
SCHEMBL979987 0.86 LTA4H (0.40) LTA4HHRH1RIPK1SLC6A2SLC6A4
SCHEMBL4728624 0.83 HTR1A (0.38) LTA4HSLC6A2SLC6A4TSHR
SCHEMBL3812990 0.83 SLC6A2 (0.44) LTA4HSLC6A2SLC6A4
SCHEMBL981201 0.81 LTA4H (0.38) LTA4HHRH1RIPK1SLC6A2SLC6A4
SCHEMBL6504160 0.79 HMGCR (0.35) PPARA
SCHEMBL16962466 0.77 ELANE (0.36)
SCHEMBL982283 0.77 LTA4H (0.41) LTA4HBCL2L2

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 1039/4885HRH1 1592/4885RIPK1 1613/4885

“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.