SCHEMBL4198536

SCHEMBL4198536

CCCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.70
HDAC1 Q13547 4/20 0.64
HDAC8 Q9BY41 2/20 0.64
HTR7 P34969 1/20 0.59
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
STS P08842 4/20 0.54
GSK3B P49841 1/20 0.53

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
SCHEMBL7789291 0.98 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL7789360 0.98 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL4293741 0.98 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL7907717 0.98 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL7788804 0.98 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL1091479 0.94 HSD17B3 (0.69) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL19757444 0.93 HSD17B3 (0.65) HSD17B3HDAC1HDAC8HTR7HDAC3
SCHEMBL18753070 0.90 HSD17B3 (0.84) HSD17B3HTR7THRATHRBSTS
SCHEMBL133319 0.90 HDAC1 (0.75) HSD17B3HDAC1HDAC8HDAC3HDAC2
SCHEMBL9341720 0.89 HDAC1 (0.64) HSD17B3HDAC1HDAC8HTR7HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444458-A Method for realizing migration of remote aromatic heterocycle and direct alkyl heteroaryl of terminal olefin 南京工业大学 2023-07-18 CN disclosed
US-8003678-B2 Therapeutic substituted thiazolidinones, oxazolidinones, and related compounds ALLERGAN, INC. (US) 2011-08-23 US disclosed
US-8003678-B2 Therapeutic substituted thiazolidinones, oxazolidinones, and related compounds ALLERGAN, INC. (US) 2011-08-23 US disclosed
US-7964596-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-21 US disclosed
US-7964596-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-21 US disclosed
US-7781465-B2 Therapeutic oxazolidinones and thiazolidinones ALLERGAN, INC. (US) 2010-08-24 US disclosed
US-7781465-B2 Therapeutic oxazolidinones and thiazolidinones ALLERGAN, INC. (US) 2010-08-24 US disclosed
US-20100093809-A1 THERAPEUTIC SUBSTITUTED THIAZOLIDINONES, OXAZOLIDINONES, AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-15 US disclosed
US-20100093809-A1 THERAPEUTIC SUBSTITUTED THIAZOLIDINONES, OXAZOLIDINONES, AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-15 US disclosed
US-7659295-B2 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. (US) 2010-02-09 US disclosed
US-20080045596-A1 Ep2 Receptor Agonists ASTERAND, INC. 2008-02-21 US disclosed
US-20080045596-A1 Ep2 Receptor Agonists ASTERAND, INC. 2008-02-21 US disclosed
US-20080045596-A1 Ep2 Receptor Agonists ASTERAND, INC. 2008-02-21 US disclosed
US-20080033023-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted pyrrolidine compounds OLD DAVID W 2008-02-07 US disclosed
EP-1716113-A1 EP2- RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-02 EP disclosed
US-20050209336-A1 EP2 receptor agonists ASTERAND, INC. 2005-09-22 US disclosed
WO-2005061449-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-07-07 WO disclosed
US-6191182-B1 SUBJECTING P-HALOPHENYL ALKYL KETONE TO AMINOLYSIS WITH CYCLIC SECONDARY AMINE TO FORM CYCLIC AMINE-SUBSTITUTED PHENYL ALKYL KETONE; HALOGINATION AND REACTING WITH AMINE COMPOUND; STEVENS REARRANGEMENT UNDER BASIC CONDITION CIBA SPECIALTY CHEMCIALS CORPORATION 2001-02-20 US disclosed
US-5977357-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICAL CORPORATION (US) 1999-11-02 US disclosed
US-5795985-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-08-18 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 (4 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-20050209336-A1 EP2 receptor agonists PTGER2, PTGER1, PTGER3 HSD17B3 1111/4885HDAC1 1450/4885HDAC8 916/4885
US-20100093809-A1 THERAPEUTIC SUBSTITUTED THIAZOLIDINONES, OXAZOLIDINONES, AND RELATED COMPOUNDS THPO, MT-ND4L, ABAT HSD17B3 882/4885HDAC1 153/4885HDAC8 276/4885
US-20080033023-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted pyrrolidine compounds PTGER2, PTGS2, PTGIS HSD17B3 1563/4885HDAC1 1163/4885HDAC8 1448/4885
US-20080045596-A1 Ep2 Receptor Agonists PTGER2, PTGER1, PTGER3 HSD17B3 1111/4885HDAC1 1450/4885HDAC8 916/4885

“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.