SCHEMBL4430674

SCHEMBL4430674

Oc1cc2cc3sccc3cc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
DYRK1A Q13627 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
GPR35 Q9HC97 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 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
SCHEMBL4419172 0.94 CYP2A6 (0.36) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL164774 0.79 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL148089 0.78 DYRK1A (0.40) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL15087975 0.77 CYP2A6 (0.38) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL15274415 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL15040947 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL20662915 0.75 CYP2A6 (0.37) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL4424842 0.75 BACE1 (0.43) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL25235217 0.75 CYP2A6 (0.34) CYP2A6DYRK1ACA2
SCHEMBL12264660 0.75 MGLL (0.56)

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 10 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
WO-2013060702-A1 PHOTOLUMINESCENT COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2013-05-02 WO disclosed
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
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO 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 CYP2A6 405/4885DYRK1A 2218/4885PTPRC 3289/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885DYRK1A 2218/4885PTPRC 3289/4885

“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.