SCHEMBL3878288

SCHEMBL3878288

CN(CCO)c1ccc(N)c2oc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PRKDC P78527 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
USP2 O75604 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HBB P68871 2/20 0.37
CRHBP P24387 1/20 0.37
BRCA1 P38398 1/20 0.37
CRHR2 Q13324 1/20 0.37
CHEK1 O14757 1/20 0.36
NEK2 P51955 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
SCHEMBL3878218 0.90 PRKDC (0.38) CYP17A1CYP19A1CYP11B1CYP11B2PRKDC
SCHEMBL3886090 0.86 ALDH1A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL3879331 0.84 CYP17A1 (0.36) CYP17A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL3881132 0.81 PRKDC (0.38) PRKDCALDH1A1MEN1USP2KMT2A
SCHEMBL3881163 0.81 CYP17A1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL3875285 0.79 PRKDC (0.38) PRKDCALDH1A1MEN1USP2KMT2A
SCHEMBL3875331 0.78 ALDH1A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL3883612 0.77 ALDH1A1 (0.38) CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL3990840 0.75 MKNK1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL4802502 0.74 CYP17A1 (0.31) CYP17A1CYP19A1CYP11B1CYP11B2CDC14B

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 CYP17A1 1539/4885CYP19A1 1483/4885CYP11B1 783/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CYP17A1 1539/4885CYP19A1 1483/4885CYP11B1 783/4885

“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.