SCHEMBL2649047

SCHEMBL2649047

O=Cc1ccc(C2=CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.46
PTGS2 P35354 1/20 0.41
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
PSMB5 P28074 1/20 0.36
DRD1 P21728 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL833898 0.94 ACMSD (0.45) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL6047065 0.83 CYP2A6 (0.42) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10793933 0.82 ACMSD (0.53) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL10492496 0.80 ALDH1A1 (0.44) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL676294 0.78 ACMSD (0.41) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL10829816 0.77 ACMSD (0.41) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL10829814 0.76 ACMSD (0.40) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL11826170 0.75 ACMSD (0.50) ACMSDHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL11826169 0.75 ACMSD (0.50) ACMSDHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL4175163 0.74 ACMSD (0.43) ACMSDHDAC1HDAC2HDAC3TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 US claimed
US-4345072-A Process for the production of 5-arylidene hydantoins (B) DEGUSSA AG (DE) 1982-08-17 US claimed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 US disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-20040152750-A1 Novel glucagon antagonists NOVO NORDISK A/S (DK) 2004-08-05 US disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
US-4613691-A Preparation of amino acids from unsaturated hydantoins STAUFFER CHEMICAL COMPANY (US) 1986-09-23 US disclosed
EP-0078768-B1 PROCESS FOR THE CATALYTIC PD ARYLATION OF OLEFINES WITH ARYL HALOGENIDES CIBA-GEIGY AG (CH) 1986-08-27 EP disclosed
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 US disclosed
EP-0177072-A2 Preparation of amino acids from unsaturated hydantoins STAUFFER CHEMICAL COMPANY (US) 1986-04-09 EP disclosed
US-4564479-A PALLADIUM COMPOUND, PHOSPHORUS OR ARSENIC COMPOUND CIBA-GEIGY CORPORATION (US) 1986-01-14 US disclosed
EP-0078768-A1 Process for the catalytic Pd arylation of olefines with aryl halogenides CIBA-GEIGY AG (CH) 1983-05-11 EP disclosed
US-4345072-A Process for the production of 5-arylidene hydantoins (B) DEGUSSA AG (DE) 1982-08-17 US disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed
US-3944589-A α-Cycloalkenylphenyl-fatty acid nitriles CIBA-GEIGY CORPORATION (US) 1976-03-16 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 (5 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-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 ACMSD 4128/4885PTGS2 2660/4885HDAC1 2649/4885
US-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 ACMSD 4831/4885PTGS2 336/4885HDAC1 1197/4885
US-20040152750-A1 Novel glucagon antagonists GLP1R, GCGR, GIPR ACMSD 3881/4885PTGS2 3102/4885HDAC1 3499/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 ACMSD 4789/4885PTGS2 301/4885HDAC1 1365/4885
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 ACMSD 1283/4885PTGS2 3479/4885HDAC1 3417/4885

“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.