SCHEMBL4090573

SCHEMBL4090573

[O]CCCC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 4/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3523999 0.93
SCHEMBL4507233 0.87 EPHX1 (0.47) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2836847 0.86
SCHEMBL2837440 0.86
SCHEMBL15822139 0.86 EPHX1 (0.48) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL4489410 0.85 EPHX1 (0.50) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL7355885 0.84 HPGD (0.36) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL7290052 0.82 EPHX1 (0.41) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL7351738 0.81 DRD4 (0.39) EPHX1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL8151949 0.81 EPHX1 (0.41) EPHX1LMNAPOLBUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
EP-1667996-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP disclosed
EP-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
EP-1664030-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2005026156-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2005026157-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (5 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EPHX1 1392/4885LMNA 3304/4885POLB 1381/4885
US-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 EPHX1 4185/4885LMNA 4192/4885POLB 539/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EPHX1 3282/4885LMNA 3367/4885POLB 2618/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 EPHX1 2435/4885LMNA 1563/4885POLB 2192/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 EPHX1 4185/4885LMNA 4192/4885POLB 539/4885

“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.