SCHEMBL3136268

SCHEMBL3136268

CCNc1cc(Oc2c(Br)cc(C=CC(=O)OC)cc2Br)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.38
TTR P02766 1/20 0.36
APP P05067 1/20 0.36
STAT3 P40763 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL3136260 1.00 TNFRSF1A (0.39) TNFRSF1AKDM4EALDH1A1MAPTLMNA
SCHEMBL3910943 0.85 TTR (0.42) TNFRSF1AKDM4EALDH1A1MAPTGAA
SCHEMBL3133373 0.81 EPHX2 (0.44) TNFRSF1AKDM4EALDH1A1MAPTGAA
SCHEMBL3133367 0.81 EPHX2 (0.44) TNFRSF1AKDM4EALDH1A1MAPTGAA
SCHEMBL3141369 0.77 THRA (0.47) HTT
SCHEMBL3141255 0.76 THRA (0.38) LMNA
SCHEMBL13521772 0.73 CYP3A4 (0.48) TNFRSF1AALDH1A1MAPTLMNATTR
SCHEMBL4295204 0.72 KDM4E (0.44) TNFRSF1AKDM4EALDH1A1MAPTLMNA
SCHEMBL4295197 0.72 KDM4E (0.44) TNFRSF1AKDM4EALDH1A1MAPTLMNA
SCHEMBL11138532 0.70 TTR (0.50) TNFRSF1AKDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR TNFRSF1A 781/4885KDM4E 1562/4885ALDH1A1 1081/4885

“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.