SCHEMBL2479754

SCHEMBL2479754

Cc1ccc(C2CCCC2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
KMO O15229 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ATM Q13315 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 1/20 0.38
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL2886766 0.99 KMO (0.41) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2503619 0.91 KMT2A (0.46) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2509192 0.90 KMO (0.47) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2508681 0.90 KMO (0.47) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2508226 0.84 KMT2A (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2504972 0.84 PTGDR2 (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25429111 0.83 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30035926 0.83 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29771760 0.83 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27182061 0.83 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19

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 KMT2A 1611/4885ALDH1A1 240/4885CYP1A2 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.