SCHEMBL13719611

SCHEMBL13719611

COc1cc(CC(C)C)ccc1Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.68
ALOX15 P16050 3/20 0.50
ALOX12 P18054 3/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
LDHA P00338 1/20 0.50
KMT2A Q03164 1/20 0.48
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 1/20 0.44

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
SCHEMBL806723 0.83 CA2 (0.63) TTRALOX15ALOX12PPARGPPARD
SCHEMBL13718998 0.83 TTR (0.45) TTRPOLB
SCHEMBL14468310 0.82 TTR (0.73) TTRPPARGPPARDPPARAKMT2A
SCHEMBL13719319 0.81 TTR (0.48) TTRKMT2A
SCHEMBL3458007 0.81 TTR (0.71) TTRPPARGPPARDPPARAALDH1A1
SCHEMBL2799091 0.81 TTR (1.00) TTRPPARGPPARDPPARAALDH1A1
SCHEMBL8429041 0.81 TTR (0.71) TTRPPARGPPARDPPARAKMT2A
SCHEMBL21803812 0.80 TTR (0.58) TTRALOX15PPARGPPARDPPARA
SCHEMBL5018761 0.80 MEN1 (0.58) KMT2AALDH1A1
SCHEMBL27936114 0.79 PDE4D (0.48) TTRALOX15ALOX12LDHAKMT2A

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-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA TTR 4200/4885ALOX15 1304/4885ALOX12 1133/4885

“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.