SCHEMBL8973048

SCHEMBL8973048

O=[N+]([O-])c1ccc(OC2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
EPHX2 P34913 1/20 0.49
CYP19A1 P11511 4/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PTGES O14684 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
CYP2C19 P33261 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
SCHEMBL25583638 0.98 CYP19A1 (0.50) MAPTPOLBLMNAGAAEPHX2
SCHEMBL3910348 0.98 CYP19A1 (0.50) MAPTPOLBLMNAGAAEPHX2
SCHEMBL25583651 0.98 CYP19A1 (0.50) MAPTPOLBLMNAGAAEPHX2
SCHEMBL11044966 0.92 EPHX2 (0.54) MAPTPOLBLMNAGAAEPHX2
Formic Acid SCHEMBL28836905 0.89 PARP10 (0.47) MAPTPOLBLMNAGAAEPHX2
SCHEMBL4481722 0.85 HRH3 (0.58) CYP1A2CYP2D6
SCHEMBL28358940 0.84 EPHX2 (0.49) MAPTPOLBLMNAGAAEPHX2
SCHEMBL31378828 0.84 EPHX2 (0.46) MAPTPOLBLMNAGAAEPHX2
SCHEMBL30440665 0.84 EPHX2 (0.49) MAPTPOLBLMNAGAAEPHX2
SCHEMBL18283502 0.84 EPHX2 (0.46) MAPTPOLBLMNAEPHX2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
EP-3080098-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
CN-105722834-A Inhibitors of bruton's tyrosine kinase 豪夫迈·罗氏有限公司 2016-06-29 CN disclosed
WO-2015086636-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
WO-2015086636-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 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-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MAPT 3742/4885POLB 1831/4885LMNA 4183/4885

“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.