SCHEMBL7044804

SCHEMBL7044804

COc1ccc(C(C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
AKR1C3 P42330 6/20 0.53
AKR1C2 P52895 6/20 0.53
PTGS2 P35354 3/20 0.53
PTGS1 P23219 3/20 0.53
CYP1A2 P05177 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
TSHR P16473 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
ACP3 P15309 1/20 0.52
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPSR1 Q6W5P4 2/20 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
SCHEMBL1716394 0.94 ACP3 (0.61) LDHAACP3CNR1CNR2ALDH1A1
SCHEMBL31560153 0.92 LTA4H (0.53) LDHACA1CA2AKR1C3AKR1C2
SCHEMBL7973591 0.91 HPGD (0.58) LDHAAKR1C3AKR1C2PTGS2PTGS1
Diphenylacetic Acid SCHEMBL8037692 0.88 ACP3 (0.54) ACP3CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL1451206 0.83 RAB9A (0.57) LDHACA1CA2AKR1C3AKR1C2
SCHEMBL9391336 0.83 CES2 (0.50) LDHACA1CA2ACP3CNR1
SCHEMBL6504793 0.82 ACP3 (0.61) ACP3CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL350067 0.81 PTGS2 (0.71) LDHACA1CA2AKR1C3AKR1C2
SCHEMBL4634271 0.81 TSHR (0.56) LDHACA1CA2AKR1C3AKR1C2
SCHEMBL4507705 0.81 CA1 (0.55) CA1CA2ACP3CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US disclosed
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed
US-6492365-B1 Microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-6114390-A AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS KARL THOMAE GMBH (DE) 2000-09-05 US disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
WO-1994025427-A1 ETHANOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-10 WO disclosed
EP-0108985-B1 TRANSPARENT RESIN MATERIAL CONTAINING METAL ATOMS HITACHI, LTD. (JP) 1986-10-15 EP disclosed
US-4585841-A LENSES, WAVEGUIDES, OPTICAL FIBERS HITACHI, LTD. (JP) 1986-04-29 US disclosed
US-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
EP-0108985-A1 Transparent resin material containing metal atoms HITACHI, LTD. (JP) 1984-05-23 EP disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 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-20030166590-A1 Microsomal triglyceride transfer protein MTTP, CETP, HDLBP LDHA 2677/4885CA1 4859/4885CA2 4809/4885

“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.