SCHEMBL10154080

SCHEMBL10154080

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4cncc(-c5cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)cc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5)c4)cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.60
DGAT1 O75907 1/20 0.44
XDH P47989 3/20 0.43
SLC22A12 Q96S37 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
DHODH Q02127 1/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL10154066 1.00 KIF11 (0.60) KIF11DGAT1XDHSLC22A12CA12
SCHEMBL10154177 0.94 KIF11 (0.55) KIF11DGAT1XDHSLC22A12CA12
SCHEMBL10154180 0.91 KIF11 (0.51) KIF11DGAT1XDHSLC22A12CA12
SCHEMBL23319641 0.86 KIF11 (0.61) KIF11XDHNPC1RAB9AMITF
SCHEMBL4322427 0.86 KIF11 (0.61) KIF11XDHNPC1RAB9AMITF
SCHEMBL25094279 0.86 KIF11 (0.55) KIF11DGAT1XDHSLC22A12CA12
SCHEMBL25754718 0.84 KIF11 (0.53) KIF11DGAT1XDHSLC22A12CA12
SCHEMBL10154078 0.83 KIF11 (0.87) KIF11XDHNPC1RAB9AALDH1A1
SCHEMBL10154062 0.83 KIF11 (0.87) KIF11XDHNPC1RAB9AALDH1A1
SCHEMBL23959634 0.82 KDM4E (0.45) KIF11XDHSLC22A12CYP1A1CYP1B1

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
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
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 913/4885DGAT1 4416/4885XDH 3101/4885

“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.