SCHEMBL980128

SCHEMBL980128

CCCCCc1c(Oc2ccccc2)[c]ccc1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
LIPG Q9Y5X9 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
PPARA Q07869 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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 0.96 LTA4H (0.41) LTA4H
SCHEMBL983303 0.92 LTA4H (0.42) LTA4HPPARAMMP2MMP3MMP9
SCHEMBL984698 0.92 LTA4H (0.42) LTA4H
SCHEMBL981201 0.91 LTA4H (0.38) LTA4HPPARASLC6A2SLC6A4HRH1
SCHEMBL982031 0.87 LTA4H (0.41) LTA4HMMP2MMP3MMP9MMP8
SCHEMBL984172 0.86 LTA4H (0.44) LTA4HPPARAMMP2MMP3MMP9
SCHEMBL981916 0.84 LTA4H (0.37) LTA4HSLC6A2SLC6A4HRH1
SCHEMBL982120 0.81 LTA4H (0.44) LTA4H
SCHEMBL983863 0.80 LTA4H (0.38) LTA4H
SCHEMBL983873 0.78 LTA4H (0.45) LTA4HLIPGPPARAPPARG

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 1039/4885LIPG 28/4885LTB4R 2684/4885

“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.