SCHEMBL10154078

SCHEMBL10154078

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)c3)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.87
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GCGR P47871 2/20 0.49
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
KIT P10721 1/20 0.44
SRC P12931 1/20 0.44
FLT3 P36888 1/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL10154062 1.00 KIF11 (0.87) KIF11MAPTNPC1RAB9ALMNA
SCHEMBL3999289 0.93 KIF11 (1.00) KIF11MAPTNPC1RAB9ALMNA
SCHEMBL13284181 0.89 KIF11 (0.68) KIF11MAPTNPC1RAB9ALMNA
SCHEMBL16694367 0.86 KIF11 (0.86) KIF11MAPTNPC1RAB9ALMNA
SCHEMBL23319641 0.86 KIF11 (0.61) KIF11NPC1RAB9ALMNAHPGD
SCHEMBL4322427 0.86 KIF11 (0.61) KIF11NPC1RAB9ALMNAHPGD
SCHEMBL14200205 0.84 KIF11 (0.68) KIF11MAPTNPC1RAB9ALMNA
SCHEMBL10154066 0.83 KIF11 (0.60) KIF11NPC1RAB9ATP53TSHR
SCHEMBL10154080 0.83 KIF11 (0.60) KIF11NPC1RAB9ATP53TSHR
SCHEMBL22904695 0.82 KIF11 (0.77) KIF11MAPTNPC1RAB9ALMNA

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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC KIF11 913/4885MAPT 1381/4885NPC1 2642/4885

“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.