SCHEMBL1309739

SCHEMBL1309739

Oc1cccc2c1Sc1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
ALDH1A1 P00352 2/20 0.33
EGFR P00533 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
CA3 P07451 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 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
SCHEMBL21646153 0.81 ALOX5 (0.33) ALOX5MAOAMAOB
SCHEMBL31748025 0.80 ALOX5 (0.40) ALOX5ALOX15TDP1KDM4EMAOA
SCHEMBL27924285 0.78 ALOX5 (0.38) ALOX5ALDH1A1KDM4EATM
SCHEMBL18534187 0.77 PTPN5 (0.40) ALOX5ALDH1A1HPGDALOX15HSD17B10
SCHEMBL22180390 0.77 AHR (0.47) ALOX5ALDH1A1LMNAHPGDMAPT
SCHEMBL23546577 0.77 ATM (0.33) ALOX5KDM4EMAOAMAOBATM
SCHEMBL9934474 0.77 MEN1 (0.41) CA2L3MBTL1ATMCA1
SCHEMBL9934469 0.77 ATM (0.34) ALOX5MAOAMAOBATMAHR
SCHEMBL5970726 0.77 L3MBTL1 (0.32) ALOX5L3MBTL1MAOAMAOBATM
SCHEMBL18034345 0.77 ENPP2 (0.32) ALDH1A1KDM4EMAPTL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES LEVOLTA PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-8389525-B2 Small molecules for inhibition of protein kinases LEVOLTA PHARMACEUTICALS, INC. 2013-03-05 US disclosed
WO-2011139295-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES IMC BIOTECHNOLOGY, INC. (US) 2011-11-10 WO disclosed
US-20110275645-A1 Small Molecules for Inhibition of Protein Kinases LEVOLTA PHARMACEUTICALS, INC. 2011-11-10 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 (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-20130058980-A1 SMALL MOLECULE INHIBITORS OF PROTEIN KINASES SYK, BTK, LCK ALOX5 4000/4885ALDH1A1 4797/4885EGFR 1178/4885
US-20110275645-A1 Small Molecules for Inhibition of Protein Kinases MAP3K1, MAP3K20, MAP3K6 ALOX5 4172/4885ALDH1A1 4207/4885EGFR 553/4885

“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.