SCHEMBL2813151

SCHEMBL2813151

CC(=CCO)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
MMP12 P39900 2/20 0.47
LSS P48449 1/20 0.47
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KCNH2 Q12809 1/20 0.41
HDAC2 Q92769 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
CES1 P23141 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL21486330 0.89 ALDH1A1 (0.53) FFAR1LSSALDH1A1HDAC2TRPV1
SCHEMBL29572084 0.89 ALDH1A1 (0.53) FFAR1LSSALDH1A1HDAC2TRPV1
SCHEMBL4585160 0.85 FFAR1 (0.51) FFAR1MMP12LSSNAAAALDH1A1
SCHEMBL5808516 0.84 FFAR1 (0.58) FFAR1MMP12NAAAALDH1A1CNR2
SCHEMBL28415205 0.83 TRPV1 (0.54) LSSALDH1A1CNR2TRPV1
SCHEMBL14672153 0.80 FFAR1 (0.42) FFAR1ALDH1A1
SCHEMBL2815696 0.80 FFAR1 (0.46) FFAR1MMP12LSSNAAAALDH1A1
SCHEMBL13129949 0.80 FFAR1 (0.46) FFAR1MMP12LSSNAAAALDH1A1
SCHEMBL8618952 0.77 FNTA (0.57) FFAR1HDAC1
SCHEMBL8618944 0.77 FNTA (0.57) FFAR1HDAC1

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 2841/4885MMP12 1728/4885LSS 536/4885

“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.