SCHEMBL68436

SCHEMBL68436

Cc1c(C)c(Cc2c(C)c(C)c(O)c(Cl)c2C)c(C)c(Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.39
HIF1A Q16665 3/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
ESR1 P03372 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL68926 0.81 FASN (0.35) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL8417583 0.78 IGF1R (0.34) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL11166245 0.76 FASN (0.33) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL16475965 0.76 CYP2C19 (0.42) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL17490271 0.74 HPGD (0.44) SIRT1TP53HPGDHSD17B10MEN1
SCHEMBL69870 0.73 CYP2C19 (0.43) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL2050463 0.73 HPGD (0.37) HPGDHSD17B10MEN1LMNAMAPT
SCHEMBL24462737 0.72 SIRT1 (0.36) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL29057400 0.70 HPGD (0.35) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9
SCHEMBL24870391 0.70 HPGD (0.33) SIRT1HIF1ACYP2C19SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
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
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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 SIRT1 3400/4885HIF1A 1324/4885CYP2C19 3009/4885

“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.