SCHEMBL17320655

SCHEMBL17320655

Oc1ccc(C2OCCO2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
PTPN1 P18031 1/20 0.55
YWHAG P61981 1/20 0.50
QDPR P09417 3/20 0.47
PTGS2 P35354 2/20 0.42
GAA P10253 4/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
RECQL P46063 3/20 0.39
BLM P54132 2/20 0.39
ALPI P09923 1/20 0.39
MCL1 Q07820 1/20 0.39
ATM Q13315 1/20 0.39
BACE1 P56817 4/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL1587499 0.82 ALOX15 (0.43) ALOX5PTPN1YWHAGMEN1KMT2A
SCHEMBL3695721 0.82 HSD17B10 (0.43) ALOX5PTPN1YWHAGHSD17B10CYP3A4
SCHEMBL3691459 0.82 MEN1 (0.40) ALOX5PTPN1YWHAGMEN1KMT2A
SCHEMBL8010373 0.82 ALOX5 (0.38) ALOX5PTPN1YWHAGQDPRPTGS2
SCHEMBL3695981 0.82 ESR1 (0.43) ALOX5PTPN1YWHAGQDPRTDP1
SCHEMBL242386 0.82 DRD3 (0.47) ALOX5PTPN1YWHAGGAAMEN1
SCHEMBL14624939 0.79 QDPR (0.45) ALOX5PTPN1YWHAGQDPRPTGS2
SCHEMBL15372462 0.77 TUBB4A (0.56) ALOX5PTPN1PTGS2MEN1KMT2A
SCHEMBL3690573 0.77 PPARG (0.64) ALOX5PTPN1QDPRGAAMEN1
SCHEMBL9423755 0.77 APP (0.40) ALOX5PTPN1YWHAGQDPRPOLB

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-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
US-9580379-B2 Xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-02-28 US disclosed
WO-2015191635-A2 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 WO disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 US disclosed
US-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2015-12-10 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 (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-20150353471-A1 XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 ALOX5 362/4885PTPN1 1872/4885YWHAG 4376/4885

“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.