SCHEMBL719731

SCHEMBL719731

CCCC(=O)OC(=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
NPC1 O15118 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 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
SCHEMBL20485512 0.87 ALDH1A1 (0.58) ALDH1A1LMNACYP1A2CYP2C19NPC1
Hydrogen Peroxide SCHEMBL29219018 0.81 LMNA (0.56) ALDH1A1LMNACYP2D6HSD17B10SMN1; SMN2
SCHEMBL266279 0.81 LMNA (0.56) ALDH1A1LMNACYP2D6HSD17B10SMN1; SMN2
SCHEMBL23069546 0.80 L3MBTL1 (0.60) ALDH1A1LMNACYP1A2CYP2C19NPC1
SCHEMBL10579985 0.80 HSD17B3 (0.58) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL8995839 0.80 TDP1 (0.52) ALDH1A1LMNACYP1A2NPC1CYP3A4
SCHEMBL28255372 0.80 LMNA (0.55) ALDH1A1LMNACYP2D6HSD17B10SMN1; SMN2
SCHEMBL27844964 0.79 CYP1A2 (0.49) ALDH1A1LMNACYP1A2CYP2C19NPC1
SCHEMBL4688387 0.79 HTR7 (0.51) ALDH1A1CYP1A2NPC1SMN1; SMN2KMT2A
SCHEMBL8591084 0.79 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2NPC1KMT2A

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
US-12479803-B2 Antimalarial compounds UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-11-25 US disclosed
US-20220204452-A1 ANTIMALARIAL COMPOUNDS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2022-06-30 US disclosed
WO-2020206252-A1 ANTIMALARIAL COMPOUNDS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2020-10-08 WO disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 US disclosed
WO-2003062227-A1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 WO disclosed
WO-2003062225-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 WO disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed
US-4127583-A Preparation of 3-(pyridinyl)-2-cyclohexene-1-ones STERLING DRUG INC. (US) 1978-11-28 US disclosed
US-4026900-A 3-(Pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1977-05-31 US disclosed
US-3947462-A 2,4,7-substituted 5-hydroxy benzopyrans and esters ABBOTT LABORATORIES (US) 1976-03-30 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 (7 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ALDH1A1 3690/4885LMNA 3296/4885CYP1A2 1810/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 ALDH1A1 3690/4885LMNA 3296/4885CYP1A2 1810/4885
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 ALDH1A1 1737/4885LMNA 1616/4885CYP1A2 3844/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 ALDH1A1 2590/4885LMNA 3522/4885CYP1A2 1660/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ALDH1A1 3690/4885LMNA 3296/4885CYP1A2 1810/4885
US-12479803-B2 Antimalarial compounds H1-3, FPR3, NHERF1 ALDH1A1 3012/4885LMNA 632/4885CYP1A2 255/4885
US-20220204452-A1 ANTIMALARIAL COMPOUNDS H1-3, FPR3, NHERF1 ALDH1A1 3012/4885LMNA 632/4885CYP1A2 255/4885

“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.