SCHEMBL6130249

SCHEMBL6130249

CCCOS(=O)(=O)[O-].C[n+]1cccc(CNc2ccc(CCO)c(O)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.33
▸ EGFR P00533 3/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ARG1 P05089 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 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
SCHEMBL5560529 0.86 PIK3CG (0.31) —
Hydrochloric Acid SCHEMBL6130248 0.85 ARG1 (0.39) FFAR1EGFRCYP2C19FFAR4ARG1
SCHEMBL6130247 0.84 EGFR (0.32) FFAR1EGFRCYP2C19CA1CA2
Hydrochloric Acid SCHEMBL6130235 0.79 ARG1 (0.41) FFAR1EGFRCYP2C19FFAR4CA1
SCHEMBL6130234 0.75 TUBB4A (0.48) EGFRCYP2C19CA1CA2CA12
Bromide SCHEMBL6130243 0.69 TUBB4A (0.50) EGFRCYP2C19ARG1TUBB4ATUBB
Hydrochloric Acid SCHEMBL6130295 0.69 TUBB4A (0.50) EGFRCYP2C19ARG1TUBB4ATUBB
Iodide SCHEMBL6130228 0.69 TUBB4A (0.50) EGFRCYP2C19ARG1TUBB4ATUBB
Hydrochloric Acid SCHEMBL6130242 0.68 ARG1 (0.39) FFAR1EGFRFFAR4ARG1ALOX12
Hydrochloric Acid SCHEMBL6130246 0.66 ARG1 (0.39) EGFRCYP2C19ARG1ALOX12TUBB4A

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 FFAR1 704/4885EGFR 3740/4885CYP2C19 439/4885

“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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