SCHEMBL24620122

SCHEMBL24620122

C/C(C#N)=C\C=C(/C)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ ALDH1A1 P00352 11/20 0.37
▸ SMN1; SMN2 Q16637 8/20 0.37
▸ LMNA P02545 7/20 0.37
▸ MAPT P10636 7/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ CES2 O00748 1/20 0.35

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
SCHEMBL15596606 0.85 ESR1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL23458240 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL7759160 0.82 KDM1A (0.38) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL21026168 0.79 GABRA1 (0.37) GABRA1GABRG2GABRB3ALDH1A1SMN1; SMN2
SCHEMBL18827517 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL625935 0.74 GABRA1 (0.53) GABRA1GABRG2GABRB3ALDH1A1SMN1; SMN2
SCHEMBL625934 0.74 GABRA1 (0.53) GABRA1GABRG2GABRB3ALDH1A1SMN1; SMN2
SCHEMBL18033836 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL19676996 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL625933 0.74 GABRA1 (0.53) GABRA1GABRG2GABRB3ALDH1A1SMN1; SMN2

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-20220220083-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 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-20220220083-A1 COMPOUND HAVING BENZOTRIAZOLE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE ELEMENT POU2F2, EBPL, POU2F1 GABRA1 233/4885GABRG2 281/4885GABRB3 118/4885

“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.

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