SCHEMBL3974023

SCHEMBL3974023

COCCOc1ccc(CCC(=O)O)cc1OCCOC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.51
FFAR1 O14842 6/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APP P05067 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL3967976 0.87 FFAR4 (0.51) FFAR4FFAR1PPARAPPARGLMNA
SCHEMBL3667217 0.86 LMNA (0.65) FFAR4FFAR1PPARAPPARGLMNA
SCHEMBL3667760 0.85 LMNA (0.59) FFAR4FFAR1PPARAPPARGLMNA
SCHEMBL22622262 0.85 LMNA (0.62) FFAR4FFAR1PPARALMNAAPP
SCHEMBL2840795 0.83 FFAR4 (0.55) FFAR4FFAR1LMNAL3MBTL1APP
SCHEMBL3693650 0.82 LMNA (0.60) FFAR4FFAR1PPARALMNAL3MBTL1
SCHEMBL5687906 0.82 PPARA (0.57) FFAR4FFAR1PPARALMNAAPP
SCHEMBL9178046 0.81 FFAR4 (0.55) FFAR4FFAR1PPARAAPP
SCHEMBL8731740 0.80 SIGMAR1 (0.64) FFAR4FFAR1LMNA
SCHEMBL14538389 0.79 PPARA (0.57) FFAR4FFAR1PPARAPPARGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7572809-B2 Isoquinoline aminopyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1966190-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
US-20070179151-A1 Isoquinoline aminopyrazole derivatives F. HOFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO disclosed
WO-2007071348-A1 ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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-20070179151-A1 Isoquinoline aminopyrazole derivatives CYP3A5, CYP3A43, CYP3A4 FFAR4 2816/4885FFAR1 3038/4885PPARA 1365/4885

“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.