SCHEMBL5358309

SCHEMBL5358309

Cc1ccc(NCC(O)O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47

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
SCHEMBL5914557 0.87 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL11312217 0.80 MAPT (0.45) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL3962037 0.79 ALDH1A1 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL27335760 0.76 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL29428385 0.76 ALDH1A1 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL11990845 0.76 ALDH1A1 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL95129 0.76 ALDH1A1 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL11637154 0.74 TUBB4A (0.47) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL7688086 0.74 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL9795817 0.74 TUBB4A (0.47) CYP1A2CYP2D6CYP2C9CYP2C19MEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468049-B1 YELLOW CATIONIC DYES FOR DYING OF ORGANIC MATERIAL BASF SE (DE) 2013-08-14 EP disclosed
US-7258702-B2 Yellow cationic dyes for dyeing of organic material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-08-21 US disclosed
EP-1483334-B1 PROCESS FOR EXCHANGING THE ANIONS OF CATIONIC DYES CIBA SC HOLDING AG (CH) 2007-07-04 EP disclosed
US-7232467-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-19 US disclosed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
US-7223295-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-29 US disclosed
US-7192453-B2 Method of coloring keratin-containing fibres using diazonium salts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-20 US disclosed
US-7166710-B2 Cationic dimeric dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 US disclosed
US-7166711-B2 Cationic dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-23 US disclosed
US-7091358-B2 Cationic substituted hydrazone dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-15 US disclosed
US-20040168265-A1 Cationic dyes CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed
US-20040158937-A1 Cationic substituted hydrazone dyes CIBA SPECIALTY CHEMICALS CORP. 2004-08-19 US disclosed
EP-1438006-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS Ciba SC Holding AG (CH) 2004-07-21 EP disclosed
EP-1430102-A1 CATIONIC REACTIVE DYES Ciba SC Holding AG (CH) 2004-06-23 EP disclosed
WO-2004019897-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed
WO-2003076518-A2 PROCESS FOR EXCHANGING THE ANIONS OF CATIONIC COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-18 WO disclosed
WO-2003070207-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-28 WO disclosed
WO-2003060015-A1 YELLOW CATIONIC DYES FOR DYING OF ORGANIC MATERIAL CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2003-07-24 WO disclosed
WO-2003032939-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed
WO-2003029359-A1 CATIONIC REACTIVE DYES CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2003-04-10 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 (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-20040168265-A1 Cationic dyes KRT18, NUP205, IK CYP1A2 1375/4885CYP2D6 1042/4885CYP2C9 2059/4885
US-20040158937-A1 Cationic substituted hydrazone dyes KRT18, CYC1, COL1A1 CYP1A2 1037/4885CYP2D6 2912/4885CYP2C9 1933/4885

“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.