SCHEMBL3175226

SCHEMBL3175226

CCCC[Sn](C=Cc1ccc(N(C(=O)O)C(C)(C)C)cc1)(CCCC)CCCC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PAX8 Q06710 1/20 0.32
KDM4A O75164 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.31
HSD17B3 P37058 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGFR P00533 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL3175215 1.00 CTDSP1 (0.33) CTDSP1ATG4BPAX8KDM4AKDM2A
SCHEMBL6878639 0.76 RARB (0.44) ALDH1A1MAPT
SCHEMBL6878636 0.76 RARB (0.44) ALDH1A1MAPT
SCHEMBL6965007 0.72 EGFR (0.41) NPC1MAPTSMN1; SMN2EGFRHDAC3
SCHEMBL702726 0.72 EGFR (0.41) NPC1MAPTSMN1; SMN2EGFRHDAC3
SCHEMBL702727 0.72 EGFR (0.41) NPC1MAPTSMN1; SMN2EGFRHDAC3
SCHEMBL24141 0.70 ALDH1A1 (0.39) HSD17B3NPC1ALDH1A1RAB9A
SCHEMBL17783837 0.70 ALDH1A1 (0.39) KDM4AKDM2AALDH1A1
SCHEMBL17783836 0.70 ALDH1A1 (0.39) KDM4AKDM2AALDH1A1
SCHEMBL1661860 0.70 NFE2L2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298513-B2 Hexatriene-β-carbonyl compound OSAKA UNIVERSITY (JP) 2012-10-30 US disclosed
US-20100008857-A1 NOVEL HEXATRIENE-BETA-CARBONYL COMPOUND OSAKA UNIVERSITY (JP) 2010-01-14 US disclosed
EP-2128124-A1 NOVEL HEXATRIENE- -CARBONYL COMPOUND Osaka University (JP) 2009-12-02 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-20100008857-A1 NOVEL HEXATRIENE-BETA-CARBONYL COMPOUND CBR1, CBR3, DCXR CTDSP1 3354/4885ATG4B 2279/4885PAX8 1333/4885

“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.