SCHEMBL3876483

SCHEMBL3876483

CCNc1ccc(N)c2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 1/20 0.41
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
EGFR P00533 5/20 0.37
IGF1R P08069 5/20 0.37
FLT4 P35916 4/20 0.37
KDR P35968 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NQO1 P15559 1/20 0.36

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
SCHEMBL3887969 0.88 KDM4E (0.47) KDM4EMAPTGAAHSD17B10IDO1
SCHEMBL3881372 0.83 RECQL (0.51) KDM4EMAPTGAAIDO1CYP17A1
SCHEMBL3875849 0.81 ALDH1A1 (0.53) KDM4EMAPTGAAHSD17B10IDO1
SCHEMBL3877504 0.79 KDM4E (0.47) KDM4EMAPTGAAHSD17B10IDO1
SCHEMBL3873553 0.79 NR1I3 (0.40) KDM4EMAPTGAAHSD17B10EGFR
SCHEMBL3879302 0.79 LMNA (0.51) KDM4EMAPTHSD17B10EGFRIGF1R
SCHEMBL3887899 0.78 IGF1R (0.45) KDM4EMAPTGAAHSD17B10IDO1
SCHEMBL21129120 0.77 POLB (0.50) KDM4EMAPTGAAHSD17B10SMN1; SMN2
SCHEMBL3875085 0.77 NQO1 (0.47) KDM4EMAPTGAAHSD17B10CYP17A1
SCHEMBL3874939 0.77 IGF1R (0.42) KDM4EMAPTGAAHSD17B10CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885GAA 3637/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885GAA 3637/4885

“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.