SCHEMBL6139697

SCHEMBL6139697

COc1c(N)cc(N)cc1-c1cc(N)cc(N)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.35
CYP19A1 P11511 2/20 0.34
NQO2 P16083 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 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
SCHEMBL16608098 0.87 ALDH1A1 (0.38) CYP19A1NQO2ALDH1A1CYP3A4TDP1
SCHEMBL2025462 0.78 CASP1 (0.41) CYP19A1NQO2ALDH1A1CYP3A4TDP1
SCHEMBL2529901 0.78 ACHE (0.46) CYP19A1NQO2ALDH1A1CYP3A4TDP1
SCHEMBL21264353 0.78 MAPT (0.47) FYNCYP19A1NQO2CYP3A4TSHR
Hydrochloric Acid SCHEMBL5484796 0.76 CASP1 (0.39) CYP19A1NQO2ALDH1A1CYP3A4TDP1
SCHEMBL17000445 0.76 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRTUBB4ATUBB
Hydrochloric Acid SCHEMBL8521226 0.76 MAPT (0.46) CYP19A1NQO2ALDH1A1CYP3A4TDP1
SCHEMBL11512951 0.73 GAA (0.43) CYP19A1NQO2POLBGAA
SCHEMBL29974990 0.73 IMPDH2 (0.38) CYP19A1NQO2TSHRMAPK1TUBB4A
SCHEMBL214933 0.73 IMPDH2 (0.38) CYP19A1NQO2TSHRMAPK1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231889-B1 DIRECT HAIR DYES AND USE THEREOF HENKEL KGAA (DE) 2005-12-14 EP disclosed
EP-1218344-B1 OXIDATION COLORANT STARTING PRODUCTS HENKEL KGAA (DE) 2005-08-17 EP disclosed
EP-1212032-B1 NEW DIRECT HAIR COLORANTS HENKEL KGAA (DE) 2005-05-04 EP disclosed
US-20050086746-A1 Direct hair dyes and use thereof MUSANG DEVELOPMENT CORP. 2005-04-28 US disclosed
EP-1185234-B1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KGAA (DE) 2005-02-09 EP disclosed
US-6835211-B1 Comprises 1,4-dihydroxy-6-chloro-7-(3'-methylphenoxy)-anthraquinone; improved colorfastness HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-28 US disclosed
EP-1212031-B1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-08-04 EP disclosed
EP-1231889-A2 DIRECT HAIR DYES AND USE THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2002-08-21 EP disclosed
EP-1218344-A2 OXIDATION COLORANT STARTING PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-07-03 EP disclosed
EP-1212031-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-12 EP disclosed
EP-1185234-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP disclosed
WO-2001026615-A2 DIRECT HAIR DYES CONTAINING A HYDROXYANTHROQUINONE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-04-19 WO disclosed
WO-2001021143-A1 USE OF 2-NITRO-P-PHENYLENE DIAMINE DERIVATIVES AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO disclosed
WO-2001000152-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-04 WO disclosed
WO-2000076977-A2 OXIDATION COLORANT STARTING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-21 WO 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-20050086746-A1 Direct hair dyes and use thereof CYP7B1, CYP26A1, NDUFA6 FYN 3405/4885CYP19A1 183/4885NQO2 107/4885

“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.