SCHEMBL7092218

SCHEMBL7092218

CCc1c(OC)c(OC)cc2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE10A Q9Y233 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE5A O76074 3/20 0.39
PDE4A P27815 3/20 0.39
PDE1A P54750 3/20 0.39
PDE1B Q01064 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
PDE3B Q13370 3/20 0.39
PDE1C Q14123 3/20 0.39
PDE3A Q14432 3/20 0.39
CDK5 Q00535 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
SCHEMBL4639701 0.87 NQO1 (0.50) NQO1PTGS2MAPTNPC1SMN1; SMN2
SCHEMBL11893005 0.87 PTGES (0.46) NQO1PTGS2MAPTNPC1SMN1; SMN2
SCHEMBL16267147 0.78 CYP2A6 (0.46) NQO1MAPTNPC1KDM4EALDH1A1
SCHEMBL28859156 0.77 NQO1 (0.42) NQO1MAPTSMN1; SMN2PDE10AKDM4E
SCHEMBL7889092 0.77 NQO1 (0.53) NQO1MAPTNPC1SMN1; SMN2KDM4E
SCHEMBL11450871 0.75 KDM4E (0.47) PTGS2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2876970 0.73 NQO1 (0.44) NQO1MAPTSMN1; SMN2PDE10AKDM4E
SCHEMBL19019819 0.73 TLR8 (0.42) NQO1MAPTNPC1PDE10AKDM4E
SCHEMBL9483707 0.73 NQO1 (0.47) NQO1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4238902 0.71 NQO1 (0.46) NQO1MAPTNPC1SMN1; SMN2KDM4E

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
EP-3453751-A1 USE OF GLYCERIN SHORT-CHAIN ALIPHATIC ETHER COMPOUNDS Ecolab USA Inc. (US) 2019-03-13 EP disclosed
US-8901056-B2 Reducing viscosity utilizing glycerin short-chain aliphatic ether compounds ECOLAB USA INC. (US) 2014-12-02 US disclosed
US-20120309849-A1 USE OF GLYCERIN SHORT-CHAIN ALIPHATIC ETHER COMPOUNDS ECOLAB USA INC. 2012-12-06 US disclosed
US-6548189-B1 Epoxidized cashew nutshell liquid, a catalyst, and bisphenol a diglycidyl ether GENERAL ELECTRIC COMPANY 2003-04-15 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-20120309849-A1 USE OF GLYCERIN SHORT-CHAIN ALIPHATIC ETHER COMPOUNDS GK, PHOSPHO1, UGCG NQO1 4455/4885PTGS2 563/4885MAPT 1694/4885

“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.