SCHEMBL13606282

SCHEMBL13606282

Cc1cc(C)cc(-c2cc(C(C)(C)C)cc(-c3noc(-c4c(F)cccc4Cl)n3)c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL13379339 0.90 NPC1 (0.42) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13606269 0.87 ALDH1A1 (0.44) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13606262 0.86 NPC1 (0.48) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13379341 0.85 HSP90AA1 (0.45) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13606267 0.85 SMN1; SMN2 (0.41) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13606264 0.83 MAPT (0.42) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13379337 0.83 MAPT (0.46) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13379325 0.83 MAPT (0.44) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL13379334 0.82 NPC1 (0.45) RAB9ANPC1L3MBTL1CASP3SENP7
SCHEMBL20391191 0.82 NR1H4 (0.43) RAB9ANPC1L3MBTL1CASP3SENP7

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-20090286944-A1 SELECT PHENOL-HETEROCYCLE LIGANDS, METAL COMPLEXES FORMED THEREFROM, AND THEIR USES AS CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-11-19 US disclosed
US-20090286944-A1 SELECT PHENOL-HETEROCYCLE LIGANDS, METAL COMPLEXES FORMED THEREFROM, AND THEIR USES AS CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-11-19 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-20090286944-A1 SELECT PHENOL-HETEROCYCLE LIGANDS, METAL COMPLEXES FORMED THEREFROM, AND THEIR USES AS CATALYSTS WASF2, WEE1, CD40LG RAB9A 4829/4885NPC1 4734/4885L3MBTL1 3390/4885

“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.