SCHEMBL4949569

SCHEMBL4949569

Oc1cc2cnn(OCc3ccccc3)c2cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.40
SRC P12931 4/20 0.40
PDE1C Q14123 2/20 0.38
RECQL P46063 1/20 0.36
HRAS P01112 1/20 0.36
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
IDH1 O75874 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL4956832 0.89 NPSR1 (0.36) GPR35PDE1CRECQLMAOBNPSR1
SCHEMBL4955320 0.85 HTR2A (0.46) RECQLNPSR1MEN1HPGDKMT2A
SCHEMBL4952937 0.82 RECQL (0.36) PDE1CRECQLMAOBNPSR1MEN1
SCHEMBL3532871 0.80 RECQL (0.53) RECQLNPSR1MEN1HPGDKMT2A
SCHEMBL4953481 0.78 CNR1 (0.40) RECQLMAOBMAPT
SCHEMBL16393961 0.78 HCAR3 (0.43) PDE1CMEN1KMT2A
SCHEMBL4955540 0.77 RECQL (0.36) RECQLMAOBNPSR1MAPTLMNA
SCHEMBL4955585 0.76 GPR35 (0.35) GPR35SRC
SCHEMBL4955978 0.75
SCHEMBL4913815 0.74 DHFR (0.38) MAOBNPSR1MAPTLMNACYP1A2

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-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
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 GPR35 2638/4885SRC 2096/4885PDE1C 4480/4885

“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.