SCHEMBL983863

SCHEMBL983863

CCCc1c(Oc2ccccc2)[c]ccc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.38
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
NOS2 P35228 1/20 0.33
NPC1 O15118 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
MAPT P10636 1/20 0.30
ALOX12 P18054 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
SCHEMBL982120 0.92 LTA4H (0.44) LTA4HALDH1A1GAATSHRMAPT
SCHEMBL984172 0.91 LTA4H (0.44) LTA4HALDH1A1GAAMAPT
SCHEMBL983817 0.87 LTA4H (0.38) LTA4HALDH1A1HPGDKDM4ETSHR
SCHEMBL981201 0.84 LTA4H (0.38) LTA4HALDH1A1HPGDKDM4EGAA
SCHEMBL981916 0.83 LTA4H (0.37) LTA4HALDH1A1HPGDKDM4EGAA
SCHEMBL982283 0.81 LTA4H (0.41) LTA4HALDH1A1GAAMAPT
SCHEMBL980128 0.80 LTA4H (0.42) LTA4H
SCHEMBL984698 0.79 LTA4H (0.42) LTA4HALDH1A1GAATSHRMAPT
SCHEMBL8408811 0.78 NOS2 (0.37) NOS2
SCHEMBL982031 0.78 LTA4H (0.41) LTA4HALDH1A1TSHRMAPT

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 1039/4885ALDH1A1 2204/4885HPGD 265/4885

“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.