SCHEMBL7732291

SCHEMBL7732291

CCCCC(CC)COC(=O)c1ccc(N)cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.74
ALDH1A1 P00352 5/20 0.74
MAPK1 P28482 4/20 0.74
CYP3A4 P08684 5/20 0.71
CA2 P00918 1/20 0.71
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
LMNA P02545 4/20 0.61
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
RECQL P46063 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL2819271 0.91 LMNA (0.70) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL9444077 0.90 LMNA (0.69) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL10763925 0.86 ALDH1A1 (0.78) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL226379 0.86 ALDH1A1 (0.77) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL29351184 0.85 TSHR (1.00) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL6009951 0.85 ALDH1A1 (0.76) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL6009118 0.85 ALDH1A1 (0.76) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL34167 0.85 TSHR (1.00) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL10763900 0.84 ALDH1A1 (0.74) TSHRALDH1A1MAPK1CYP3A4CA2
SCHEMBL26190010 0.84 ALDH1A1 (0.97) TSHRALDH1A1MAPK1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
WO-2012026378-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2012-03-01 WO disclosed
US-6399318-B1 ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 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 (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-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER TYR, CRY1, MITF TSHR 2792/4885ALDH1A1 1826/4885MAPK1 1759/4885

“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.