SCHEMBL15720845

SCHEMBL15720845

COC(=O)c1cc(OC)cc(OCCN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
POLB P06746 2/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.48

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
SCHEMBL16533945 0.89 SYK (0.53) ALDH1A1KDM4EPOLBTP53SMN1; SMN2
SCHEMBL15720776 0.89 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTP53ALOX15
SCHEMBL15517531 0.88 EPHX2 (0.53) ALDH1A1KDM4EPOLBTP53ALOX15
SCHEMBL16533977 0.88 SMN1; SMN2 (0.55) ALDH1A1KDM4ETP53SMN1; SMN2GAA
SCHEMBL16533854 0.86 SMN1; SMN2 (0.50) ALDH1A1KDM4EPOLBTP53ALOX15
SCHEMBL16566606 0.85 EPHX2 (0.50) ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL16533920 0.85 SMN1; SMN2 (0.49) ALDH1A1KDM4EPOLBTP53ALOX15
SCHEMBL7323017 0.84 ATM (0.63) ALDH1A1KDM4ETP53SMN1; SMN2GAA
SCHEMBL385247 0.84 KDM4E (0.62) ALDH1A1KDM4ETP53SMN1; SMN2GAA
SCHEMBL63569 0.83 SMN1; SMN2 (0.72) ALDH1A1KDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732063-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-08-15 US disclosed
EP-2925742-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2016-10-26 EP disclosed
US-20150329523-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2015-11-19 US disclosed
EP-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 US disclosed
WO-2015024905-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-02-26 WO disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 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 (2 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-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS FGF2, CCNA2, VEGFA ALDH1A1 1001/4885KDM4E 2115/4885POLB 1792/4885
US-20150329523-A1 KINASE INHIBITORS SYK, SRC, BTK ALDH1A1 4202/4885KDM4E 2536/4885POLB 3605/4885

“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.