SCHEMBL10154092

SCHEMBL10154092

Cn1c(-c2cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)cnc1-c1ccc(-c2cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
MAPT P10636 3/20 0.38
HPGDS O60760 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TDO2 P48775 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL12525207 0.74 KIF11 (0.53) KIF11ALDH1A1KDM4ECA12CA9
SCHEMBL12524849 0.74 KIF11 (0.53) KIF11ALDH1A1KDM4ECA12CA9
SCHEMBL12523556 0.74 KIF11 (0.53) KIF11ALDH1A1KDM4ECA12CA9
SCHEMBL22845298 0.71 POLB (0.45) KIF11MAPTUSP2ALDH1A1HPGD
SCHEMBL11976447 0.70 NPC1 (0.47) KIF11MAPTALDH1A1HPGDCA12
SCHEMBL12622261 0.70 KIF11 (0.49) KIF11MAPTALDH1A1HPGDKDM4E
SCHEMBL12524828 0.68 KIF11 (0.56) KIF11MAPTHPGDSTDO2NPSR1
SCHEMBL10154082 0.68 IDO1 (0.46) KIF11HPGDSALDH1A1HPGDPOLB
SCHEMBL12628204 0.68 TSHR (0.48) KIF11MAPTALDH1A1HPGDCA12
SCHEMBL23319641 0.68 KIF11 (0.61) KIF11ALDH1A1HPGDKDM4EALOX15

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 1381/4885HPGDS 4121/4885

“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.