SCHEMBL25734849

SCHEMBL25734849

Cc1ccccc(C)cc2c(c1)[nH]c1c3ccccc3ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.61
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MPL P40238 2/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
BCHE P06276 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 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
SCHEMBL9779428 0.92 KIF11 (0.68) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL9779088 0.90 KIF11 (0.66) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL12240628 0.86 KIF11 (0.74) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL29402876 0.82 KIF11 (0.69) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL20659826 0.82 KIF11 (0.69) KIF11KDM4EALDH1A1HPGDHTT
Toluene SCHEMBL7897249 0.81 KIF11 (0.79) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL21692093 0.81 KIF11 (0.68) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL20247764 0.81 KIF11 (0.56) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL15002835 0.80 KIF11 (0.60) KIF11KDM4EALDH1A1HPGDHTT
SCHEMBL22652998 0.79 KIF11 (0.82) KIF11KDM4EALDH1A1HPGDHTT

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-11649249-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2023-05-16 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-11649249-B2 Compounds for electronic devices DDT, CYP2C9, CYP2D6 KIF11 3038/4885KDM4E 2128/4885ALDH1A1 193/4885

“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.