SCHEMBL5075409

SCHEMBL5075409

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
FAAH O00519 6/20 0.46
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 1/20 0.44
GPR84 Q9NQS5 4/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL5079134 1.00 ZDHHC2 (0.50) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL5075436 1.00 ZDHHC2 (0.50) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL5076058 1.00 ZDHHC2 (0.50) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL28382122 0.95 ZDHHC2 (0.46) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL7158311 0.94 PRSS1 (0.53) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL11764523 0.88 ZDHHC2 (0.46) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL28158719 0.88 ALDH1A1 (0.51) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL5079109 0.87 LMNA (0.43) PRSS1PRSS2PRSS3GPR84
SCHEMBL9069101 0.87 GPR84 (0.58) ZDHHC2FAAHALDH1A1CNR2GPR84
SCHEMBL5079132 0.87 LMNA (0.43) PRSS1PRSS2PRSS3GPR84

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402610-B2 Carbonyl compound containing long-chain branched alkyl group IDEMITSU KOSAN CO., LTD. (JP) 2008-07-22 US disclosed
US-20070282123-A1 Carbonyl Compound Containing Long-Chain Branched Alkyl Group IDEMITSU KOSAN CO., LTD (JP) 2007-12-06 US disclosed
EP-1710225-A1 CARBONYL COMPOUND CONTAINING LONG-CHAIN BRANCHED ALKYL GROUP IDEMITSU KOSAN CO., LTD. (JP) 2006-10-11 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-20070282123-A1 Carbonyl Compound Containing Long-Chain Branched Alkyl Group HSD17B12, ALOX15, LSS ZDHHC2 607/4885PRSS1 1789/4885PRSS2 1703/4885

“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.