SCHEMBL2397978

SCHEMBL2397978

Cc1cccc(C(C)(C)C)c1OC(=O)c1ccccc1C(=O)Oc1c(C)cccc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
NLRP3 Q96P20 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10745505 0.84 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL10743671 0.79 POLB (0.46) ALDH1A1MAPTPOLBTSHRSMN1; SMN2
SCHEMBL5567289 0.77 NLRP3 (0.47) ALDH1A1HSD17B10GABRA1GABRB2GAA
SCHEMBL4801387 0.77 NLRP3 (0.50) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL13893720 0.76 GABRA1 (0.43) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL28902417 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMAPTTSHR
SCHEMBL9304475 0.75 HSD17B10 (0.58) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28024266 0.74 ALOX5 (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL11523328 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL11772725 0.73 GABRA1 (0.54) ALDH1A1KDM4EGABRA1GABRB2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ALDH1A1 1882/4885KDM4E 717/4885HPGD 3275/4885

“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.