SCHEMBL2479300

SCHEMBL2479300

CCCc1cc(C2CCCCC2)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KMO O15229 1/20 0.40
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT3 P40763 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 7/20 0.38
PPARA Q07869 4/20 0.38
LMNA P02545 2/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2484587 0.99 EPHX2 (0.40) EPHX2KMOCYP1A2ALDH1A1CYP2C9
SCHEMBL2510195 0.94 CNR1 (0.43) EPHX2KMOCYP1A2ALDH1A1CYP2C9
SCHEMBL2499379 0.92 CNR1 (0.42) KMOCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2509821 0.92 KMO (0.43) KMOCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2507825 0.91 KMT2A (0.42) KMOCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2482998 0.86 CYP1A2 (0.41) KMOCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2481198 0.84 CYP1A2 (0.40) KMOCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2483345 0.82 KMO (0.45) KMOCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2511700 0.82 PPARG (0.39) EPHX2KMOCYP1A2ALDH1A1CYP2C9
SCHEMBL2482272 0.81 KMO (0.46) KMOCYP1A2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604235-B2 Production of substituted phenylene aromatic diesters and compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 US disclosed
EP-2376423-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-19 EP disclosed
US-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions W. R. GRACE & CO.-CONN. 2010-08-12 US disclosed
WO-2010078519-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 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-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions PAH, DDC, DDT EPHX2 280/4885KMO 283/4885CYP1A2 76/4885

“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.