SCHEMBL5908054

SCHEMBL5908054

COc1ccc2c(c1)C(C)(C)NC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR5A P47898 1/20 0.38
PDE7A Q13946 2/20 0.37

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
SCHEMBL5908065 0.73 GAA (0.42) SNCAALDH1A1MEN1KMT2AKDM4E
SCHEMBL9117295 0.72 CA1 (0.42) SNCAALDH1A1MEN1KMT2AKDM4E
SCHEMBL10533866 0.72 CA1 (0.42) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL29462816 0.72 RXRA (0.53) ALDH1A1CA1CA2CA7CA9
SCHEMBL4420031 0.72 RXRA (0.53) ALDH1A1CA1CA2CA7CA9
SCHEMBL23928095 0.71 SNCA (0.50) SNCAALDH1A1MEN1KMT2AKDM4E
SCHEMBL19084279 0.71 CYP1A2 (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL23960646 0.71 SNCA (0.55) SNCAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3484805 0.71 PDE3B (0.42) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL29706055 0.70 HTR2C (0.53) SNCAALDH1A1MEN1KMT2AKDM4E

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-20060258652-A1 Beta-blockers having antioxidant and no-donor activity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-11-16 US disclosed
WO-2004047837-A2 BETA-BLOCKERS HAVING ANTIOXIDANT AND NITRIC OXIDE-DONOR ACTIVITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-10 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-20060258652-A1 Beta-blockers having antioxidant and no-donor activity ADRB1, ADRB2, ADRB3 SNCA 387/4885ALDH1A1 537/4885MEN1 3842/4885

“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.