SCHEMBL6130247

SCHEMBL6130247

CC(O)c1ccc(NCc2ccc[n+](C)c2)cc1O.CCCOS(=O)(=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.32
▸ CYP2C19 P33261 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ARG1 P05089 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ FFAR1 O14842 1/20 0.30

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
Hydrochloric Acid SCHEMBL6130246 0.85 ARG1 (0.39) EGFRCYP2C19ARG1SMN1; SMN2
SCHEMBL6130249 0.84 FFAR1 (0.33) EGFRCYP2C19CA12CA1CA2
SCHEMBL6130234 0.74 TUBB4A (0.48) EGFRCYP2C19CA12CA1CA2
Hydrochloric Acid SCHEMBL6130235 0.73 ARG1 (0.41) EGFRCYP2C19CA12CA1CA2
SCHEMBL5560529 0.70 PIK3CG (0.31) —
Hydrochloric Acid SCHEMBL6130295 0.69 TUBB4A (0.50) EGFRCYP2C19ARG1
Iodide SCHEMBL6130228 0.69 TUBB4A (0.50) EGFRCYP2C19ARG1
Bromide SCHEMBL6130243 0.69 TUBB4A (0.50) EGFRCYP2C19ARG1
Hydrochloric Acid SCHEMBL6130248 0.67 ARG1 (0.39) EGFRCYP2C19ARG1SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL6130242 0.65 ARG1 (0.39) EGFRARG1FFAR1

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
EP-1333794-A4 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2005-08-10 — — EP disclosed
US-6806372-B1 NEW ORANGE COUPLERS FOR USE IN OXIDATIVE HAIR DYEING COMPOSITIONS AND SYSTEMS THE PROCTER & GAMBLE COMPANY 2004-10-19 — — US disclosed
EP-1333794-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-08-13 — — EP disclosed
US-6572665-B2 For use in hair coloring formulations CLAIROL INCORPORATED 2003-06-03 — — US disclosed
US-20020100126-A1 Novel coupler for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-08-01 — — US disclosed
WO-2002039969-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-05-23 — — 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-20020100126-A1 Novel coupler for use in oxidative hair dyeing CBR1, CBR3, PYCR1 EGFR 3740/4885CYP2C19 439/4885CA12 837/4885

“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.

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