SCHEMBL2481807

SCHEMBL2481807

CC(C)Cc1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.38
ATM Q13315 1/20 0.38
PTGDR Q13258 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2481806 0.99 CYP1A2 (0.42) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2506534 0.88 KMT2A (0.43) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2483351 0.85 KMT2A (0.40) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2484131 0.84 PTGDR2 (0.41) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2510955 0.84 KMT2A (0.41) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2481611 0.83 KMT2A (0.39) CYP1A2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL2483330 0.83 CYP1A2 (0.41) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2508324 0.82 PTGDR2 (0.39) CYP1A2LMNACYP2D6SCN1ASCN2A
SCHEMBL2506366 0.82 PTGDR2 (0.44) CYP1A2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL2484864 0.81 PTGDR2 (0.46) 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.