SCHEMBL983989

SCHEMBL983989

CCc1cc[c]c(Oc2ccccc2)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.38
TSHR P16473 1/20 0.35
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 1/20 0.33
PGR P06401 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL981916 0.89 LTA4H (0.37) LTA4HTSHRKDM4EALDH1A1LMNA
SCHEMBL982031 0.86 LTA4H (0.41) LTA4HTSHRALDH1A1POLBMAPT
SCHEMBL983303 0.85 LTA4H (0.42) LTA4HPOLBL3MBTL1
SCHEMBL983817 0.83 LTA4H (0.38) LTA4HTSHRALOX15KDM4EALDH1A1
SCHEMBL981201 0.81 LTA4H (0.38) LTA4HTSHRKDM4EALDH1A1MAPT
SCHEMBL979987 0.79 LTA4H (0.40) LTA4HTSHRALOX15KDM4EALDH1A1
SCHEMBL984698 0.78 LTA4H (0.42) LTA4HTSHRALDH1A1POLBMAPT
SCHEMBL982283 0.77 LTA4H (0.41) LTA4HALDH1A1POLBMAPTL3MBTL1
SCHEMBL456728 0.77 PDE3B (0.31)
SCHEMBL980128 0.76 LTA4H (0.42) LTA4HPGRSLC6A2SLC6A4

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 1039/4885TSHR 4853/4885ALOX15 3286/4885

“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.