SCHEMBL1301592

SCHEMBL1301592

CC1CCCCCCCC=CCCCCC(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
GEMIN4 P57678 1/20 0.40
HSF1 Q00613 1/20 0.40
MITF O75030 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
VCP P55072 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 5/20 0.38
ESR2 Q92731 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
CYP3A4 P08684 3/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL20137412 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL1302421 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL18281094 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL18280901 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL18281093 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL24668093 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL1302142 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL18281098 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL1302446 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT
SCHEMBL1301590 1.00 CA1 (0.53) CA1CA9NPC1RAB9AMAPT

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-2376467-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2014-03-12 EP disclosed
US-8338361-B2 Fragrance composition KAO CORPORATION (JP) 2012-12-25 US disclosed
US-20110269664-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2011-11-03 US disclosed
EP-2376467-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2011-10-19 EP disclosed
WO-2010082684-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2010-07-22 WO 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-20110269664-A1 FRAGRANCE COMPOSITION MSI2, MUS81, EMC1 CA1 3770/4885CA9 2748/4885NPC1 3872/4885

“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.