SCHEMBL20136561

SCHEMBL20136561

CC1(CO)CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
NR3C1 P04150 3/20 0.44
SIGMAR1 Q99720 8/20 0.43
EBP Q15125 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5549325 0.84 KDM1A (0.50) KDM1AMEN1KMT2AKDM5AKDM4C
SCHEMBL5547560 0.84 KDM1A (0.53) KDM1AMEN1KMT2AKDM5AKDM4C
Hydrochloric Acid SCHEMBL15824893 0.81 KDM1A (0.54) KDM1AMEN1KMT2AKDM5AKDM4C
SCHEMBL809019 0.80 KDM5A (0.52) KDM1AMEN1KMT2AKDM5AKDM4C
SCHEMBL18898122 0.80 KDM1A (0.50) KDM1AMEN1KMT2AKDM5AKDM4C
SCHEMBL29417922 0.79 SIGMAR1 (0.49) KDM1AMEN1KMT2AKDM5AKDM4C
SCHEMBL29417920 0.79 SIGMAR1 (0.49) KDM1AMEN1KMT2AKDM5AKDM4C
SCHEMBL9665166 0.79 KDM5A (0.51) KDM1AMEN1KMT2AKDM5AKDM4C
Ethylene Glycol SCHEMBL870255 0.79 KDM1A (0.51) KDM1AMEN1KMT2ASIGMAR1EBP
SCHEMBL27525590 0.78 SIGMAR1 (0.49) KDM1AMEN1KMT2AKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-03-19 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 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 (2 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-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS ACOX3, ACOT7, ACOX1 KDM1A 2909/4885MEN1 3215/4885KMT2A 2593/4885
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis ACOX3, ACOT7, ACOX1 KDM1A 2917/4885MEN1 3187/4885KMT2A 2612/4885

“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.