SCHEMBL4420005

SCHEMBL4420005

Oc1c2ccsc2cc2sccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CSNK2A2 P19784 6/20 0.34
CSNK2B P67870 6/20 0.34
CSNK2A1 P68400 6/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
DAO P14920 1/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 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
SCHEMBL4424963 0.78 ALDH1A1 (0.47) CYP2A6ALDH1A1MAPTHPGD
SCHEMBL4416762 0.78 TYR (0.36) DAOALDH1A1GAAADRA2AADRA2B
SCHEMBL4419435 0.78 CYP2A6 (0.36) GPR35CYP2A6CSNK2A2CSNK2BCSNK2A1
SCHEMBL30973469 0.75 MAPT (0.34) CYP2A6KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL4418496 0.74 TYR (0.32) CYP2A6KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL22504295 0.74 KDM4E (0.42) GPR35CYP2A6KDM4ECSNK2A2CSNK2B
SCHEMBL4418719 0.74 DYRK1A (0.35) GPR35CYP2A6KDM4ECSNK2A2CSNK2B
SCHEMBL13046521 0.73 CA1 (0.37) GPR35KDM4EALDH1A1MAPTHPGD
SCHEMBL4424828 0.72 KDM4E (0.34) GPR35CYP2A6KDM4ECSNK2A2CSNK2B
SCHEMBL14113158 0.72 MAPT (0.42) CYP2A6KDM4EALDH1A1MAPTHTT

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-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR35 2405/4885CYP2A6 405/4885KDM4E 1418/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR35 2405/4885CYP2A6 405/4885KDM4E 1418/4885

“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.