SCHEMBL5213552

SCHEMBL5213552

COC(=O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
FFAR1 O14842 7/20 0.55
PTGES O14684 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 1/20 0.51
GNA15 P30679 1/20 0.49
PTGER3 P43115 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTBP2 P56545 1/20 0.49
AKR1C3 P42330 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
CCR8 P51685 1/20 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
Methane SCHEMBL27618790 0.98 SLC7A5 (0.54) SLC7A5FFAR1PTGESKDM4EALDH1A1
SCHEMBL12440458 0.88 P2RX3 (0.58) SLC7A5ALDH1A1FAAH
SCHEMBL3192546 0.85 SRD5A2 (0.58) FFAR1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL378705 0.85 SMN1; SMN2 (0.61) SLC7A5ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL31249652 0.85 SMN1; SMN2 (0.61) SLC7A5ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL5725928 0.84 SMN1; SMN2 (0.65) SLC7A5FFAR1KDM4EALDH1A1HTT
SCHEMBL9804265 0.84 FFAR1 (0.60) FFAR1PTGESGNA15PTGER3FFAR4
SCHEMBL6115348 0.84 CCR8 (0.54) FFAR1PTGESALDH1A1SMN1; SMN2FAAH
SCHEMBL2848161 0.84 MAOB (0.60) SLC7A5FFAR1PTGESKDM4EALDH1A1
SCHEMBL11758560 0.84 FAAH (0.54) FFAR1PTGESKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN claimed
US-8778298-B2 Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same RIKEN (JP) 2014-07-15 US disclosed
EP-2463263-B1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2014-04-23 EP disclosed
EP-2463263-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME Riken (JP) 2012-06-13 EP disclosed
US-20120128588-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME RIKEN (JP) 2012-05-24 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
EP-1653952-A4 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2007-04-04 EP disclosed
US-7112599-B2 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2006-09-26 US disclosed
EP-1653952-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005016267-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-02-24 WO disclosed
US-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2005-02-10 US disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
US-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4062895-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-12-13 US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 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 (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-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders APP, OXA1L, BACE1 SLC7A5 1608/4885FFAR1 1320/4885PTGES 3710/4885
US-20120128588-A1 ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME CYP2F1, PTGS2, PTGER2 SLC7A5 353/4885FFAR1 27/4885PTGES 42/4885

“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.