SCHEMBL17347192

SCHEMBL17347192

O=C(O)c1cc2ccc(OCc3ccccc3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.54
F9 P00740 4/20 0.54
F10 P00742 4/20 0.54
ALOX5 P09917 1/20 0.54
BCL2L1 Q07817 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.52
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
CYP3A4 P08684 1/20 0.51
SRD5A2 P31213 2/20 0.50
SLC16A3 O15427 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.49

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
SCHEMBL3745463 0.90 CYP3A4 (0.50) NR4A2F9F10ALOX5MRGPRX4
SCHEMBL17347188 0.89 MAOB (0.56) NR4A2F9F10ALOX5MRGPRX4
SCHEMBL17173217 0.88 MAOB (0.49) F9F10BCL2L1MRGPRX4CYP3A4
SCHEMBL17173218 0.87 MAOB (0.53) NR4A2F9F10MRGPRX4
SCHEMBL17347194 0.87 F9 (0.50) NR4A2F9F10ALOX5MRGPRX4
SCHEMBL15697600 0.86 MRGPRX4 (0.57) F9F10MRGPRX4
SCHEMBL21405854 0.86 STING1 (0.50) F9F10ALOX5MRGPRX4CYP3A4
SCHEMBL15697513 0.85 PPARA (0.57) MRGPRX4
SCHEMBL23480370 0.84 F9 (0.47) NR4A2F9F10ALOX5MRGPRX4
SCHEMBL13709494 0.84 F9 (0.74) F9F10ALOX5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
WO-2015189117-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-17 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 (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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 NR4A2 448/4885F9 4123/4885F10 3649/4885

“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.