SCHEMBL945915

SCHEMBL945915

[Li]C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
PLA2G1B P04054 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.38

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
SCHEMBL18261205 0.82 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1538379 0.82 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30438243 0.82 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL3786775 0.80 ALDH1A1 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6471561 0.80 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL540391 0.80 ALDH1A1 (0.47) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL28502709 0.80 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL14973884 0.78 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL540224 0.78 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL540935 0.78 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003953-A1 Carbon-Bridged Cyclopentadienyl-Fluorenyl Ligands FINA TECHNOLOGY, INC. (US) 2011-01-06 US disclosed
EP-2204375-A1 Preparation of mono-aryl-substituted methylene-bridged substituted cyclopentadienyl-fluorenyl ligands and zirconium complexes derived thereof Total Petrochemicals Research Feluy (BE) 2010-07-07 EP disclosed
EP-1891121-A1 CARBON-BRIDGED CYCLOPENTADIENYL-FLUORENYL LIGANDS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2008-02-27 EP disclosed
WO-2006134098-A1 CARBON-BRIDGED CYCLOPENTADIENYL-FLUORENYL LIGANDS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2006-12-21 WO disclosed
EP-1734059-A1 Carbon-bridged cyclopentadienyl-fluorenyl ligands TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2006-12-20 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-20110003953-A1 Carbon-Bridged Cyclopentadienyl-Fluorenyl Ligands CCR3, CNOT9, MYCBP ALDH1A1 1588/4885NPC1 378/4885PLA2G1B 4554/4885

“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.