SCHEMBL980117

SCHEMBL980117

CCCCc1[c]ccc(CC)c1CCC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TYR P14679 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
SCHEMBL979965 0.95 ALDH1A1 (0.32) ALDH1A1HSD17B10TYR
SCHEMBL983444 0.93 LIPG (0.34) ALDH1A1HSD17B10TYR
SCHEMBL980853 0.93 LIPG (0.34) ALDH1A1HSD17B10TYR
SCHEMBL981928 0.93 LIPG (0.34) ALDH1A1HSD17B10TYR
SCHEMBL985677 0.93 LIPG (0.34) ALDH1A1HSD17B10TYR
SCHEMBL984369 0.91 TYR (0.33) ALDH1A1HPGDHSD17B10TYR
SCHEMBL816025 0.91 CTRC (0.32) CTRCALDH1A1HPGDHSD17B10TYR
SCHEMBL815876 0.91 TYR (0.31) TYR
SCHEMBL981197 0.90 TYR (0.36) ALDH1A1HSD17B10TYR
SCHEMBL982625 0.90 TYR (0.36) ALDH1A1HSD17B10TYR

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 5 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
US-3955985-A 1A SILICONATES, CHELATING AGENTS, ALCOHOLS, KETONES, MASONRY WACKER-CHEMIE GMBH (DT) 1976-05-11 US 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 CTRC 649/4885ALDH1A1 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.