SCHEMBL26050693

SCHEMBL26050693

CC(C)(C)c1cc(-c2ccccc2)cc(-c2cccc(-c3ccc(C#N)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.61
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PTPN5 P54829 2/20 0.43
DHODH Q02127 1/20 0.43
RXRG P48443 2/20 0.42
KAT6A Q92794 1/20 0.42
MYC P01106 1/20 0.42
ACLY P53396 1/20 0.41
TSHR P16473 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDK2 Q15119 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
SCHEMBL26050746 0.97 KIF11 (0.65) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL26050743 0.97 KIF11 (0.65) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL26050701 0.92 PTPN5 (0.52) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL26050681 0.90 PTPN5 (0.50) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL24617023 0.90 KIF11 (0.74) KIF11RXRARXRBPTPN5RXRG
SCHEMBL16784873 0.88 KIF11 (0.67) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL24617134 0.88 KIF11 (0.79) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL25823088 0.86 KIF11 (0.49) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL15853154 0.85 KIF11 (0.52) KIF11RXRARXRBGABRA1GABRG2
SCHEMBL18411359 0.84 TSHR (0.56) KIF11GABRA1GABRG2GABRB3GABRA5

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-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 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-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 KIF11 4748/4885RXRA 3406/4885RXRB 3377/4885

“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.