SCHEMBL3877504

SCHEMBL3877504

CCNc1cc(C)c(N)c2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
GAA P10253 6/20 0.47
MAPT P10636 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AHR P35869 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.35
MAOA P21397 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL4846820 0.91 MAPT (0.40) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3874836 0.89 KDM4E (0.47) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3874539 0.86 RECQL (0.50) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3872796 0.84 ALDH1A1 (0.52) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL4846827 0.79 RAB9A (0.35) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3876483 0.79 KDM4E (0.47) KDM4EGAAMAPTHSD17B10ALDH1A1
SCHEMBL3873224 0.78 NQO1 (0.43) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3887969 0.76 KDM4E (0.47) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3880857 0.76 MAOA (0.51) KDM4EGAAMAPTHSD17B10HPGD
SCHEMBL3882591 0.75 RECQL (0.50) KDM4EGAAMAPTHSD17B10HPGD

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 1549/4885GAA 3637/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885GAA 3637/4885MAPT 420/4885

“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.