SCHEMBL4116174

SCHEMBL4116174

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nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 9/20 0.37
CNR1 P21554 7/20 0.37
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
TRPA1 O75762 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL4116171 1.00 ALDH1A1 (0.43) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL10021980 0.79 ALDH1A1 (0.45) ALDH1A1CNR2CNR1PPARGPPARD
Potassium Ion SCHEMBL2563941 0.78 ALDH1A1 (0.39) ALDH1A1CNR2CNR1PPARGPPARD
Potassium Ion SCHEMBL2563944 0.78 ALDH1A1 (0.39) ALDH1A1CNR2CNR1PPARGPPARD
Bicarbonate SCHEMBL7227147 0.77 ALDH1A1 (0.47) ALDH1A1CNR2CNR1PPARGPPARD
Bicarbonate SCHEMBL11119970 0.77 ALDH1A1 (0.47) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL17225894 0.77 TSHR (0.44) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL9724372 0.77 ALDH1A1 (0.43) ALDH1A1CNR2CNR1PPARGPPARD
SCHEMBL13604747 0.77 ALDH1A1 (0.43) ALDH1A1CNR2CNR1PPARGPPARD
Sorbic Acid SCHEMBL19555674 0.77 TSHR (0.44) ALDH1A1CNR2CNR1PPARGPPARD

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-20090076136-A1 THERAPEUTIC AGENT ENOKI TATSUJI 2009-03-19 US disclosed
US-20070060641-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-03-15 US disclosed
EP-1627632-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-22 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 (2 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-20090076136-A1 THERAPEUTIC AGENT GPR119, IAPP, FABP4 ALDH1A1 1487/4885CNR2 3951/4885CNR1 3304/4885
US-20070060641-A1 Therapeutic agent GPR119, IAPP, FABP4 ALDH1A1 1487/4885CNR2 3951/4885CNR1 3304/4885

“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.