SCHEMBL979964

SCHEMBL979964

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL985676 0.95 PRSS1 (0.35) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL980852 0.94 PRSS1 (0.38) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL981927 0.94 PRSS1 (0.38) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL984367 0.94 ALDH1A1 (0.33) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL983443 0.94 PRSS1 (0.38) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL982471 0.92 PRSS1 (0.34) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL983665 0.91 PRSS1 (0.36) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL982090 0.90 CA2 (0.32) ALDH1A1CA2CYP3A4
SCHEMBL980116 0.90
SCHEMBL15229802 0.89 PRSS1 (0.37) ALDH1A1CA2CYP3A4PRSS1PRSS2

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 ALDH1A1 2204/4885CA2 39/4885CYP3A4 431/4885

“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.