SCHEMBL5801002

SCHEMBL5801002

CCC(Cc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.57
▸ PPARA Q07869 9/20 0.57
▸ EPHX2 P34913 5/20 0.57
▸ PPARD Q03181 5/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MME P08473 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL10077534 0.85 PPARA (0.75) PPARGPPARAEPHX2PPARD
SCHEMBL28021287 0.85 PPARA (0.75) PPARGPPARAEPHX2PPARD
SCHEMBL6379983 0.80 CYP1A2 (0.59) PPARGPPARAEPHX2PPARDCYP1A2
SCHEMBL3876493 0.80 CYP1A2 (0.59) PPARGPPARAEPHX2PPARDCYP1A2
SCHEMBL3661382 0.80 CYP1A2 (0.59) PPARGPPARAEPHX2PPARDCYP1A2
SCHEMBL11529738 0.80 CYP1A2 (0.59) PPARGPPARAEPHX2PPARDCYP1A2
SCHEMBL6941118 0.80 KCNH2 (0.46) PPARGPPARAPPARD
SCHEMBL6941123 0.80 KCNH2 (0.46) PPARGPPARAPPARD
SCHEMBL265514 0.80 CYP1A2 (0.83) PPARGPPARAPPARDCYP1A2MME
SCHEMBL265063 0.80 CYP1A2 (0.83) PPARGPPARAPPARDCYP1A2MME

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-8815935-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 — — US disclosed
WO-2006098554-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-21 — — 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-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB PPARG 2042/4885PPARA 2747/4885EPHX2 2534/4885

“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.

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