SCHEMBL224641

SCHEMBL224641

O=[C]c1ccc2cccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
BCAT2 O15382 1/20 0.39
GSTP1 P09211 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL57735 0.93 ALDH1A1 (0.42) CASP3SENP8SENP7SENP6PTGS2
SCHEMBL8491741 0.81 FFAR1 (0.49) ALDH1A1HSD17B10HPGDESR2MEN1
SCHEMBL2795998 0.80 PTGS2 (0.47) CASP3SENP8SENP7SENP6PTGS2
SCHEMBL1826260 0.80 ESR2 (0.41) ALDH1A1HPGDMAPK1ESR2TDP1
SCHEMBL4864417 0.77 PARP1 (0.39) ALDH1A1HSD17B10HPGDBCL2L1MAPK1
SCHEMBL6625935 0.77 PTGDR2 (0.45) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL6628582 0.77 PTGDR2 (0.45) ALDH1A1HPGDMAPK1TDP1LMNA
SCHEMBL6281274 0.76 MEN1 (0.40) ALDH1A1MAPK1ESR2TDP1MEN1
SCHEMBL151224 0.76 ESR2 (0.67) ALDH1A1HPGDESR2LMNATHRB
SCHEMBL29159006 0.76 CYP2A6 (0.46) CASP3SENP8SENP7SENP6PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US disclosed
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2021-03-16 US disclosed
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2020-07-09 US disclosed
US-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2019-11-12 US disclosed
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists HIGH POINT PHARMACEUTICALS, LLC 2018-03-15 US disclosed
US-9855274-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2018-01-02 US disclosed
US-20170216303-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2017-08-03 US disclosed
US-9663481-B2 Phenoxy acetic acids and phenyl propionic acids as PPARδ agonists VTV THERAPEUTICS LLC (US) 2017-05-30 US disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-9045423-B2 Prophylactic and/or therapeutic agent for anemia comprising tetrahydroquinoline compound as active ingredient KOWA COMPANY, LTD. (JP) 2015-06-02 US disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
EP-1585735-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Astellas Pharma Inc. (JP) 2005-10-19 EP disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050080115-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-04-14 US disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
US-20040229889-A1 HDAC inhibitor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 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 (13 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT CASP3 1254/4885SENP8 1408/4885SENP7 1257/4885
US-20040229889-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CASP3 1117/4885SENP8 2246/4885SENP7 1845/4885
US-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD CASP3 1914/4885SENP8 4085/4885SENP7 3407/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CASP3 3731/4885SENP8 2301/4885SENP7 2004/4885
US-20170216303-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD CASP3 1884/4885SENP8 4068/4885SENP7 3175/4885
US-20050080115-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CASP3 3731/4885SENP8 2301/4885SENP7 2004/4885
US-20040143006-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CASP3 3780/4885SENP8 2150/4885SENP7 2113/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 CASP3 1618/4885SENP8 4239/4885SENP7 3582/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD CASP3 1914/4885SENP8 4085/4885SENP7 3407/4885
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists PPARG, PPARA, PPARD CASP3 1914/4885SENP8 4085/4885SENP7 3407/4885
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD CASP3 1914/4885SENP8 4085/4885SENP7 3407/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD CASP3 1914/4885SENP8 4085/4885SENP7 3407/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 CASP3 981/4885SENP8 4575/4885SENP7 4531/4885

“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.