SCHEMBL490689

SCHEMBL490689

COc1cccc(C(C)C(=O)O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
KMT2A Q03164 4/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 3/20 0.46
NFE2L2 Q16236 2/20 0.45
ALDH1A1 P00352 4/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44
LPAR1 Q92633 1/20 0.42

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
SCHEMBL8473051 0.85 PTGS2 (0.64) PTGS1PTGS2KMT2ACA12CA1
SCHEMBL7885098 0.85 PTGS2 (0.64) PTGS1PTGS2KMT2ACA12CA1
SCHEMBL362211 0.85 PTGS2 (0.64) PTGS1PTGS2KMT2ACA12CA1
SCHEMBL2397495 0.85 KMT2A (0.45) PTGS1PTGS2KMT2ACA12CA1
SCHEMBL3954798 0.84 PTGS2 (0.55) PTGS1PTGS2KMT2ACA12CA1
SCHEMBL490403 0.84 PTGS2 (0.51) PTGS1PTGS2KMT2AAKR1C3AKR1C2
SCHEMBL11125548 0.84 PTGS1 (0.46) PTGS1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL4697541 0.83 FABP4 (0.48) KMT2ACA12CA1CA2CA7
SCHEMBL28313768 0.83 PTGS2 (0.47) PTGS1PTGS2CA12CA1CA2
SCHEMBL9715766 0.82 KMT2A (0.50) PTGS1PTGS2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451334-B2 PULSE ADMINISTERING OF A C1-C4 SUBSTITUTED AND/OR PHENYL SUBSTITUTED CARBOXYLIC ACID AND SALTS AND A CARRIER OR DILUENT TO STIMULATE CELLS IN TREATING BLOOD DISORDERS, E.G. SICKLE CELL ANEMIA, THALASSEMIA, BLOOD LOSS ETC. Perrine, Susan P. 2002-09-17 US claimed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 CN disclosed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 CN disclosed
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-20030188344-A1 Compositions and methods for agrobacterium transformation of plants PENNSYLVANIA UNIVERSITY OF 2003-10-02 US disclosed
US-6451334-B2 PULSE ADMINISTERING OF A C1-C4 SUBSTITUTED AND/OR PHENYL SUBSTITUTED CARBOXYLIC ACID AND SALTS AND A CARRIER OR DILUENT TO STIMULATE CELLS IN TREATING BLOOD DISORDERS, E.G. SICKLE CELL ANEMIA, THALASSEMIA, BLOOD LOSS ETC. Perrine, Susan P. 2002-09-17 US disclosed
US-20010027215-A1 Compositions and administration of compositions for the treatment of blood disorders SUSAN PERRINE 2001-10-04 US disclosed
US-6231880-B1 ANTIGROWTH AGENTS FOR CELLS BY STIMULATING TO PATIENTS AND EFFECTIVE DIMETHYL SUBSTITUTED CARBOXYLIC ACID Perrine, Susan P. 2001-05-15 US disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed
US-4769368-A DOPAMINE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1988-09-06 US disclosed
EP-0233049-A1 2,3,4,8,9,9a-Hexahydro-4-aryl-1H-indeno[1,7-cd]azepines SMITHKLINE BECKMAN CORPORATION (US) 1987-08-19 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 (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-20080152603-A1 Antioxidants GPX4, GPX1, CAT PTGS1 262/4885PTGS2 320/4885KMT2A 4023/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 PTGS1 1937/4885PTGS2 1873/4885KMT2A 1522/4885

“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.