SCHEMBL8117331

SCHEMBL8117331

O=C(Cc1ccc(CO)cc1)OCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
MAPK1 P28482 1/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
PAM P19021 1/20 0.58
ENPP2 Q13822 1/20 0.53
TSHR P16473 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
LIPE Q05469 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
CASP1 P29466 1/20 0.48
MGLL Q99685 2/20 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
SCHEMBL6784181 0.93 ALDH1A1 (0.96) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL361779 0.91 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL28250075 0.89 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL57331 0.87 ALDH1A1 (0.85) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL31245908 0.87 ALDH1A1 (0.85) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL27499661 0.87 ALDH1A1 (0.92) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL6160393 0.84 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL224663 0.84 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL18430348 0.84 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL22211316 0.84 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-11213527-B2 Inhibitory effect of low molecular weight compound on cancer and fibrosis NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2022-01-04 US disclosed
US-20210386747-A1 INHIBITORY EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS KANONCURE, INC. (JP) 2021-12-16 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
EP-3366687-B1 SUPPRESSION AND REGENERATION PROMOTING EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS NAT UNIV CORP TOTTORI UNIV (JP) 2020-04-29 EP disclosed
US-20190055249-A1 SUPPRESSION AND REGENERATION PROMOTING EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2019-02-21 US disclosed
US-8889716-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-18 US disclosed
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2012-11-29 US disclosed
EP-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 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 (6 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 ALDH1A1 378/4885MAPK1 522/4885L3MBTL1 4871/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 ALDH1A1 378/4885MAPK1 522/4885L3MBTL1 4871/4885
US-20120302539-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN ALDH1A1 3161/4885MAPK1 4293/4885L3MBTL1 2866/4885
US-20190055249-A1 SUPPRESSION AND REGENERATION PROMOTING EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS HDGF, SHC1, HGF ALDH1A1 914/4885MAPK1 216/4885L3MBTL1 2323/4885
US-11213527-B2 Inhibitory effect of low molecular weight compound on cancer and fibrosis MMP1, SERPINB1, LGALS1 ALDH1A1 130/4885MAPK1 390/4885L3MBTL1 2085/4885
US-20210386747-A1 INHIBITORY EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS MMP1, SERPINB1, LGALS1 ALDH1A1 130/4885MAPK1 390/4885L3MBTL1 2085/4885

“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.