SCHEMBL1029367

SCHEMBL1029367

N#Cc1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.68
HSD17B2 P37059 7/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 2/20 0.68
MMP3 P08254 2/20 0.63
AR P10275 1/20 0.54
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ESR1 P03372 3/20 0.52
ESR2 Q92731 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP11B2 P19099 2/20 0.50
CYP11B1 P15538 1/20 0.50

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
SCHEMBL31398107 1.00 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9MMP3
SCHEMBL30165928 0.86 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9AR
SCHEMBL1029016 0.86 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9AR
SCHEMBL22507033 0.85 MMP3 (0.56) MMP3CA12CA2CA9ESR1
SCHEMBL12980799 0.84 ESR1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9MMP3
Phenol SCHEMBL28023068 0.83 MMP3 (0.75) HSD17B1HSD17B2MMP3CA12CA2
SCHEMBL7898375 0.82 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL18411422 0.81 TSHR (0.56) MMP3CYP11B2CYP11B1ABCB1KAT6A
SCHEMBL6067856 0.81 MMP3 (0.71) MMP3CA12CA2CA3CA6
SCHEMBL21189130 0.81 CLK4 (0.57) MMP3CYP11B2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865472-B1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LTD (IE) 2024-06-12 EP disclosed
EP-3865472-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA Therapeutics Limited (IE) 2021-08-18 EP disclosed
US-10966994-B2 Thromboxane receptor antagonists ATXA THERAPEUTICS LIMITED (IE) 2021-04-06 US disclosed
US-10966994-B2 Thromboxane receptor antagonists ATXA THERAPEUTICS LIMITED (IE) 2021-04-06 US disclosed
EP-3310756-B1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LTD (IE) 2020-12-09 EP disclosed
US-10711196-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2020-07-14 US disclosed
US-20190336513-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2019-11-07 US disclosed
US-10357504-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2019-07-23 US disclosed
US-10357504-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2019-07-23 US disclosed
US-10343982-B2 Compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-07-09 US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 US disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
US-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 US disclosed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 US disclosed
US-5262052-A Separation of polycyclic aromatic hydrocarbons BRIGHAM YOUNG UNIVERSITY (US) 1993-11-16 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 (8 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-10966994-B2 Thromboxane receptor antagonists TBXA2R, TBXAS1, PTGIR HSD17B1 2031/4885HSD17B2 1597/4885CYP3A4 1009/4885
US-20190336513-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ADA, ADAR, IMPDH1 HSD17B1 362/4885HSD17B2 441/4885CYP3A4 311/4885
US-10343982-B2 Compounds and mesogenic media MTX1, NEFM, MTX2 HSD17B1 335/4885HSD17B2 416/4885CYP3A4 2194/4885
US-10357504-B2 Thromboxane receptor antagonists TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 HSD17B1 115/4885HSD17B2 236/4885CYP3A4 449/4885
US-10711196-B2 Bimesogenic compounds and mesogenic media BMP2, NEFM, MTX1 HSD17B1 685/4885HSD17B2 649/4885CYP3A4 1690/4885
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives SLC22A8, SLCO1B3, SLCO1B1 HSD17B1 1363/4885HSD17B2 1275/4885CYP3A4 433/4885

“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.