SCHEMBL2480368

SCHEMBL2480368

CC(C)c1ccc(C2CCCC2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT3 P40763 1/20 0.38
KMO O15229 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CHRM2 P08172 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
SCHEMBL2482529 0.99 CYP1A2 (0.43) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2503619 0.88 KMT2A (0.46) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2508681 0.86 KMO (0.47) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2509192 0.86 KMO (0.47) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2503264 0.83 TSHR (0.48) LMNAKMT2AALDH1A1MEN1JAK2
SCHEMBL2479754 0.83 KMT2A (0.40) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2886766 0.82 KMO (0.41) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2508869 0.81 LMNA (0.42) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2508225 0.81 LMNA (0.44) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2504972 0.81 PTGDR2 (0.40) CYP1A2LMNACYP2D6SCN1ASCN2A

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 CYP1A2 76/4885LMNA 4145/4885CYP2D6 266/4885

“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.