SCHEMBL3972997

SCHEMBL3972997

COC(=O)c1cc(OC)c(OC)cc1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.63
ALDH1A1 P00352 7/20 0.55
HPGD P15428 4/20 0.55
POLB P06746 3/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 7/20 0.49
HSD17B10 Q99714 5/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL11065578 0.90 KDM4E (0.52) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL7378524 0.87 KDM4E (0.73) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL13468054 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL20366921 0.86 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL6781993 0.86 KDM4E (0.56) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL25134261 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL14044062 0.85 GAA (0.58) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL14032887 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL18920679 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL25155768 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDPOLBKMT2A

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-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20160243121-A1 Quinazoline Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2016-08-25 US disclosed
EP-2510786-A1 Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives Bayer CropScience AG (DE) 2012-10-17 EP disclosed
WO-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 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-20160243121-A1 Quinazoline Derivatives, Compositions, and Uses Related Thereto NOX3, NOX1, NOX5 KDM4E 1832/4885ALDH1A1 659/4885HPGD 70/4885

“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.