SCHEMBL984059

SCHEMBL984059

CCCc1cc[c]c(-c2ccccc2)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYBB P04839 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL982136 0.87 HSD11B1 (0.39)
SCHEMBL983062 0.79 SMN1; SMN2 (0.33) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL983255 0.79 SREBF2 (0.33) KDM4EALDH1A1HPGDGAAPPARG
SCHEMBL9582176 0.72 GABRA1 (0.36)
SCHEMBL981201 0.72 LTA4H (0.38) KDM4EALDH1A1HPGDGAAPPARG
SCHEMBL813302 0.72 KDM4E (0.31) KDM4EALDH1A1HPGDGAA
SCHEMBL817068 0.72 NOS2 (0.32) KDM4EALDH1A1HPGDGAA
SCHEMBL7989382 0.71 PRKCI (0.33) KDM4EALDH1A1HPGD
SCHEMBL815965 0.71
SCHEMBL9582858 0.70 ALDH1A1 (0.37) KDM4EALDH1A1MAPT

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 KDM4E 1003/4885ALDH1A1 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.