SCHEMBL6604465

SCHEMBL6604465

COc1ccc(CC#N)c2c1OC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP7 P55210 1/20 0.33
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL6602969 0.79 KMT2A (0.36) ALDH1A1HTTKMT2AKDM4ECASP1
SCHEMBL6604319 0.76 KDM4E (0.46) ALDH1A1HTTKDM4EHSD17B10CYP1A2
SCHEMBL954640 0.69 MEN1 (0.47) ALDH1A1KMT2AKDM4E
SCHEMBL6234576 0.69 AOC3 (0.49) ALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL7625688 0.68 POLB (0.36) ALDH1A1HTTKMT2AKDM4ECASP1
SCHEMBL7101461 0.68 MAPT (0.41) ALDH1A1HTTKMT2AKDM4ECASP1
SCHEMBL7097601 0.68 TUBB1 (0.35) ALDH1A1KDM4ECASP1HSD17B10PDE4A
SCHEMBL10648349 0.67 AOC3 (0.39) ALDH1A1KDM4ECASP1HSD17B10CYP1A2
SCHEMBL9786028 0.67 AOC3 (0.39) ALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL150075 0.66 CA1 (0.40) KMT2AKDM4ECYP1A2

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-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 EP 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 ALDH1A1 232/4885HTT 2308/4885KMT2A 1673/4885

“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.