SCHEMBL3215348

SCHEMBL3215348

CCCCc1c(-c2ccccc2)ccc(O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
GCGR P47871 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMB5 P28074 1/20 0.40
HSD11B1 P28845 1/20 0.40
ESR2 Q92731 1/20 0.40
BACE1 P56817 2/20 0.39
CA12 O43570 1/20 0.39
TNF P01375 1/20 0.39
CA9 Q16790 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ALOX5 P09917 1/20 0.39
SLC37A4 O43826 1/20 0.39
PDCD1 Q15116 1/20 0.39

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
SCHEMBL29000465 0.88 HPGD (0.43) GCGRHPGDNPC1MAPK1HTT
SCHEMBL29925513 0.88 HPGD (0.43) GCGRHPGDNPC1MAPK1HTT
SCHEMBL324414 0.87 HPGD (0.43) GCGRHPGDNPC1MAPK1HTT
SCHEMBL2654884 0.87 PDCD1 (0.42) TYRGCGRHPGDNPC1MAPK1
SCHEMBL10610552 0.87 GCGR (0.41) TYRGCGRHPGDNPC1MAPK1
SCHEMBL2865287 0.83 GCGR (0.44) TYRGCGRHPGDNPC1MAPK1
SCHEMBL27701575 0.83 SLC37A4 (0.50) SLC37A4BCL2L1HSD17B10KDM4E
SCHEMBL2203886 0.82 GCGR (0.47) GCGRHPGDNPC1MAPK1HTT
SCHEMBL30937377 0.82 GCGR (0.47) TYRGCGRHPGDHSD11B1ALOX5
SCHEMBL1837688 0.81 BCL2L1 (0.48) GCGRHPGDNPC1MAPK1HTT

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-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH TYR 1646/4885GCGR 1804/4885HPGD 22/4885

“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.