SCHEMBL31663584

SCHEMBL31663584

Cc1cc(-c2ccccc2C#N)cc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
GABRG2 P18507 5/20 0.49
GABRB3 P28472 5/20 0.49
GABRA1 P14867 4/20 0.49
GABRA2 P47869 4/20 0.49
TRPA1 O75762 1/20 0.49
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL27944547 0.83 LRRK2 (0.42) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL28133054 0.81 ESR2 (0.53) ESR2GABRG2GABRB3GABRA1GABRA2
SCHEMBL29662936 0.81 ESR2 (0.53) ESR2GABRG2GABRB3GABRA1GABRA2
SCHEMBL30928301 0.80 GABRG2 (0.51) GABRG2GABRB3GABRA1GABRA2TRPA1
SCHEMBL30683412 0.80 GABRG2 (0.66) ESR2GABRG2GABRB3GABRA1GABRA2
SCHEMBL19919748 0.79 TRPA1 (0.43) ESR2GABRG2GABRB3GABRA1GABRA2
SCHEMBL19919796 0.78 TRPA1 (0.42) ESR2GABRG2GABRB3GABRA1GABRA2
SCHEMBL7709223 0.78 ESR2 (0.50) ESR2GABRG2GABRB3GABRA1GABRA2
SCHEMBL12483460 0.77 KDM4E (0.47) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL9177853 0.77 FFAR1 (0.56) ESR2GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 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 (2 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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ESR2 318/4885GABRG2 3351/4885GABRB3 2361/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ESR2 318/4885GABRG2 3351/4885GABRB3 2361/4885

“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.