SCHEMBL980303

SCHEMBL980303

CCCCCCC(C)(CCCCCC)c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
KCNH2 Q12809 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL981520 0.98 GAA (0.33) CNR2CNR1KCNH2CES2CES1
SCHEMBL816882 0.93 ESR1 (0.32) CES2CES1LMNA
SCHEMBL981209 0.86 CNR2 (0.40) CNR2CNR1KCNH2
SCHEMBL985512 0.86 CNR2 (0.40) CNR2CNR1KCNH2
SCHEMBL982067 0.86 CNR2 (0.40) CNR2CNR1KCNH2
SCHEMBL983608 0.86 CNR2 (0.40) CNR2CNR1KCNH2
SCHEMBL981403 0.86 CNR2 (0.40) CNR2CNR1KCNH2
SCHEMBL2972950 0.86 CNR2 (0.40) CNR2CNR1KCNH2
SCHEMBL815964 0.85 ESR1 (0.33)
SCHEMBL817462 0.84 CNR2 (0.38) CNR2CNR1CES2CES1GAA

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 CNR2 2131/4885CNR1 3481/4885KCNH2 659/4885

“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.