SCHEMBL7734709

SCHEMBL7734709

CCCCC(CC)COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
TSHR P16473 3/20 0.68
MAPK1 P28482 2/20 0.68
CYP3A4 P08684 3/20 0.64
CA2 P00918 1/20 0.64
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
LMNA P02545 2/20 0.56
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.41

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
SCHEMBL1500563 0.84 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL10763925 0.82 ALDH1A1 (0.78) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL226379 0.82 ALDH1A1 (0.77) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL9506136 0.81 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL6009951 0.81 ALDH1A1 (0.76) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29351184 0.81 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL6009118 0.81 ALDH1A1 (0.76) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL34167 0.81 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL7734041 0.81 TDP1 (0.58) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL10763900 0.80 ALDH1A1 (0.74) ALDH1A1TSHRMAPK1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0074198-A1 Hydrogen ion-selective membranes and electrodes containing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-03-16 EP claimed
CN-105085668-A Artificial coating antigen DEHP (diethylhexyl phthalate)-OVA of DEHP as well as preparation method and application thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN 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-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
EP-0458402-B1 Hemispherand ionophores having increased lipophilicity JOHNSON & JOHNSON CLIN DIAG (US) 1996-03-20 EP disclosed
EP-0145834-B1 ION-SELECTIVE COMPOSITIONS CONTAINING CERTAIN CROWN ETHERS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-10-21 EP disclosed
EP-0458402-A1 Hemispherand ionophores having increased lipophilicity Johnson & Johnson Clinical Diagnostics, Inc. (US) 1991-11-27 EP disclosed
US-4933070-A ON SUPPORT MATRIX; ELECTRODE EASTMAN KODAK COMPANY (US) 1990-06-12 US disclosed
EP-0341859-A1 Lithium ion-selective compositions, electrodes and a method of use EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-11-15 EP disclosed
WO-1989010555-A1 LITHIUM ION-SELECTIVE COMPOSITIONS, ELECTRODES AND A METHOD OF USE EASTMAN KODAK COMPANY (US) 1989-11-02 WO disclosed
US-4853090-A Lithium ion-selective compositions, electrodes and a method of use EASTMAN KODAK COMPANY (US) 1989-08-01 US disclosed
EP-0145834-A1 Ion-selective compositions containing certain crown ethers EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-06-26 EP disclosed
US-4505800-A Sodium-selective compositions and electrodes containing same EASTMAN KODAK COMPANY (US) 1985-03-19 US disclosed
US-4504368-A ELECTRODES, CROWN ETHER EASTMAN KODAK COMPANY (US) 1985-03-12 US disclosed
US-4476007-A PERMSELECTIVE MEMBRANES; QUANTITATIVE ANALYSIS FOR BIOLOGICAL CELLS AND SERUMS EASTMAN KODAK COMPANY (US) 1984-10-09 US disclosed
EP-0074198-A1 Hydrogen ion-selective membranes and electrodes containing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-03-16 EP 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 ALDH1A1 1826/4885TSHR 2792/4885MAPK1 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.