SCHEMBL981186

SCHEMBL981186

CCCCCC(CC)(CCCCC)c1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
KCNH2 Q12809 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
SCHEMBL815135 0.97 CES2 (0.34) CES2CES1GAALMNAEPHX2
SCHEMBL983977 0.95 CES2 (0.36) CES2CES1LMNAEPHX2TDP1
SCHEMBL983168 0.95 CES2 (0.36) CES2CES1LMNAEPHX2TDP1
SCHEMBL985572 0.95 CES2 (0.36) CES2CES1LMNAEPHX2TDP1
SCHEMBL981775 0.95 CES2 (0.36) CES2CES1LMNAEPHX2TDP1
SCHEMBL2973841 0.95 CES2 (0.36) CES2CES1LMNAEPHX2TDP1
SCHEMBL2975458 0.95 CES2 (0.36) CES2CES1LMNAEPHX2TDP1
SCHEMBL815041 0.95 LMNA (0.33) CES2CES1LMNATDP1
SCHEMBL816844 0.91 LMNA (0.33) CES2CES1LMNATDP1
SCHEMBL815590 0.91 LMNA (0.36) CES2CES1GAALMNAEPHX2

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 CES2 125/4885CES1 970/4885GAA 187/4885

“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.