SCHEMBL7755506

SCHEMBL7755506

Cc1ccc(O)cc1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ABAT P80404 1/20 0.41
ENPP2 Q13822 1/20 0.40
TYR P14679 1/20 0.38
CASP1 P29466 1/20 0.37
ESR2 Q92731 4/20 0.36
ESR1 P03372 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR1D P28221 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR7 P34969 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL4394169 0.82 ESR2 (0.46) TSHRCYP3A4RECQLACHEABAT
SCHEMBL6266185 0.81 CYP3A4 (0.47) TSHRCYP3A4RECQLACHETYR
SCHEMBL12525643 0.79 TAAR1 (0.50) TSHRCYP3A4RECQLACHETAAR1
SCHEMBL1665310 0.79 SHBG (0.47) TSHRCYP3A4RECQLACHETYR
SCHEMBL31305638 0.79 CYP3A4 (0.50) TSHRCYP3A4RECQLACHETYR
SCHEMBL2015021 0.79 CYP3A4 (0.50) TSHRCYP3A4RECQLACHETYR
SCHEMBL1663206 0.77 CYP3A4 (0.44) TSHRCYP3A4RECQLACHETYR
SCHEMBL19735194 0.77 CYP3A4 (0.44) TSHRCYP3A4RECQLACHETYR
SCHEMBL111635 0.76 TAAR1 (0.68) CYP3A4TAAR1CYP1A2HSD17B10TDP1
SCHEMBL772938 0.76 EGFR (0.50) CYP3A4ABATENPP2TYRCYP1A2

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
CN-1293074-C Arylindenopyridines with PDE inhibiting activity ORTHO MCNEIL PHARM INC (US) 2007-01-03 CN claimed
CN-1516698-A Arylindenopyridines with PDE inhibiting activity 奥索・麦克尼尔药品公司 2004-07-28 CN claimed
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS VANDERBILT UNIVERSITY 2023-11-16 US disclosed
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY 2023-11-09 US disclosed
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles VANDERBILT UNIVERSITY (US) 2023-07-11 US disclosed
US-20180153827-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER MTI BIOTECH, INC. 2018-06-07 US disclosed
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-09-24 US disclosed
US-20140256774-A1 METHODS FOR TREATING INFLAMMATION AND HYPERTENSION WITH GAMMA-KETOALDEHYDE SKAVENGERS VANDERBILT UNIVERSITY (US) 2014-09-11 US disclosed
US-8822542-B2 Isoketal scavengers and mitigation of disorders involving oxidative injury VANDERBILT UNIVERSITY (US) 2014-09-02 US disclosed
US-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY VANDERBILT UNIVERSITY 2012-06-21 US disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 WO disclosed
CN-1293074-C Arylindenopyridines with PDE inhibiting activity ORTHO MCNEIL PHARM INC (US) 2007-01-03 CN disclosed
CN-1516698-A Arylindenopyridines with PDE inhibiting activity 奥索・麦克尼尔药品公司 2004-07-28 CN disclosed
EP-0915935-B1 4,7-DICHLORORHODAMINE DYES PERKIN ELMER CORP (US) 2001-03-07 EP disclosed
US-6025505-A FLUORESCENT LABELING PROBES FOR IMMUNOASSAYS, DNA SEQUENCING, DETECTING PRODUCTS OF POLYMERASE CHAIN REACTIONS THE PERKIN-ELMER CORPORATION (US) 2000-02-15 US disclosed
US-6017712-A NUCLEOTIDE LABELED WITH XANTHENE DYE HAVING NARROWER EMISSION SPECTRUM AND WITH ABSORPTION SPECTRUM SHIFTED TO THE RED; FOR MOLECULAR PROBES AND IN NUCLEIC ACID SEQUENCING APPLIED BIOSYSTEMS, LLC 2000-01-25 US disclosed
EP-0915935-A1 4,7-DICHLORORHODAMINE DYES The Perkin-Elmer Corporation (US) 1999-05-19 EP disclosed
US-5847162-A 4, 7-Dichlororhodamine dyes THE PERKIN ELMER CORPORATION (US) 1998-12-08 US disclosed
WO-1997049769-A1 4,7-DICHLORORHODAMINE DYES THE PERKIN-ELMER CORPORATION (US) 1997-12-31 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 (8 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-20140256774-A1 METHODS FOR TREATING INFLAMMATION AND HYPERTENSION WITH GAMMA-KETOALDEHYDE SKAVENGERS AKR1B1, NFKBIA, PTGS2 TSHR 4489/4885CYP3A4 1399/4885RECQL 4508/4885
US-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY PDXK, KYNU, FN3K TSHR 3896/4885CYP3A4 1643/4885RECQL 1831/4885
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS HACL2, APOB, OAT TSHR 3707/4885CYP3A4 4366/4885RECQL 2071/4885
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS FABP2, SI, MLN TSHR 4381/4885CYP3A4 3794/4885RECQL 4076/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 TSHR 4674/4885CYP3A4 2680/4885RECQL 3676/4885
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA H1-2, H1-4, H1-3 TSHR 4637/4885CYP3A4 708/4885RECQL 612/4885
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles OGG1, LGMN, GLO1 TSHR 4757/4885CYP3A4 1024/4885RECQL 1196/4885
US-20180153827-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER CPT1A, AKR7A2, FABP1 TSHR 4555/4885CYP3A4 1113/4885RECQL 2753/4885

“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.