SCHEMBL4951850

SCHEMBL4951850

Nc1cccc2cnn(O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PTBP1 P26599 1/20 0.32
KMT2A Q03164 1/20 0.32
RCE1 Q9Y256 1/20 0.32

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
SCHEMBL4949270 0.78 CYP3A4 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL5270904 0.78 KDM4E (0.39) CYP3A4LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4955235 0.77 MCHR1 (0.36) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL30007438 0.76 ADORA3 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL3364159 0.76 ADORA3 (0.38) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4956933 0.73 RECQL (0.33) RECQL
SCHEMBL4954726 0.73 PDE10A (0.37) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL30848112 0.72 CYP3A4 (0.34) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL7571970 0.72 HASPIN (0.47) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL30848002 0.72 HASPIN (0.47) CYP3A4LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
CN-101010118-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C CYP3A4 372/4885LMNA 593/4885CYP1A2 764/4885

“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.