SCHEMBL24617023

SCHEMBL24617023

CC(C)(C)c1cc(-c2ccc(C#N)cc2)cc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.74
MMP3 P08254 1/20 0.47
RXRA P19793 5/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 4/20 0.46
PTPN5 P54829 1/20 0.42
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP11B2 P19099 1/20 0.39
HSD11B1 P28845 2/20 0.37

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
SCHEMBL26050743 0.93 KIF11 (0.65) KIF11MMP3RXRARXRBRXRG
SCHEMBL26050746 0.93 KIF11 (0.65) KIF11MMP3RXRARXRBRXRG
SCHEMBL26050693 0.90 KIF11 (0.61) KIF11RXRARXRBRXRGPTPN5
SCHEMBL3420933 0.85 KIF11 (1.00) KIF11MMP3PTPN5CYP2A6ALDH1A1
SCHEMBL3421538 0.85 KIF11 (1.00) KIF11MMP3PTPN5CYP2A6ALDH1A1
SCHEMBL19911023 0.84 KIF11 (0.62) KIF11MMP3RXRARXRBRXRG
SCHEMBL16784873 0.83 KIF11 (0.67) KIF11MMP3RXRARXRBPTPN5
SCHEMBL24617134 0.83 KIF11 (0.79) KIF11MMP3RXRARXRBPTPN5
SCHEMBL3611983 0.82 MMP3 (0.64) KIF11MMP3PTPN5CYP2A6ALDH1A1
SCHEMBL16789941 0.82 MMP3 (0.64) KIF11MMP3PTPN5CYP2A6ALDH1A1

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-20220220084-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 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-20220220084-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS EXOC4, CYBA, SCO2 KIF11 3243/4885MMP3 3993/4885RXRA 3834/4885

“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.