SCHEMBL2815696

SCHEMBL2815696

CC(C)=CCC(=CCO)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
ICMT O60725 2/20 0.46
MMP12 P39900 2/20 0.42
NAAA Q02083 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP13 P45452 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC2 Q92769 1/20 0.36
CES1 P23141 1/20 0.36
LSS P48449 1/20 0.36

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
SCHEMBL13129949 1.00 FFAR1 (0.46) FFAR1ICMTMMP12NAAACNR2
SCHEMBL14596301 0.87 ICMT (0.46) FFAR1ICMTMMP12NAAAFFAR4
SCHEMBL13883693 0.85 ICMT (0.51) FFAR1ICMTMMP12NAAAFFAR4
SCHEMBL2813151 0.80 FFAR1 (0.53) FFAR1MMP12NAAACNR2FFAR4
SCHEMBL13129947 0.77 ICMT (0.47) FFAR1ICMTMMP12NAAAFFAR4
SCHEMBL4593507 0.76 ICMT (0.51) FFAR1ICMTMMP12FFAR4TRPV1
SCHEMBL9637227 0.74 FFAR1 (0.48) FFAR1MMP12MMP13TRPV1KCNH2
SCHEMBL14596300 0.73 ICMT (0.72) ICMTALDH1A1
SCHEMBL5445097 0.73 ICMT (0.72) ICMTALDH1A1
SCHEMBL5808516 0.71 FFAR1 (0.58) FFAR1MMP12NAAACNR2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324378-B2 Prodrugs and conjugates of prenylation inhibitors PURDUE RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2010-09-30 US 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-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS FNTA, FNTB, FDPS FFAR1 2841/4885ICMT 458/4885MMP12 1728/4885

“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.