SCHEMBL5610172

SCHEMBL5610172

CCCC([O])c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ACP3 P15309 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ELANE P08246 1/20 0.34
MC4R P32245 1/20 0.34
CYP2D6 P10635 2/20 0.33
POLB P06746 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL7509498 0.88 ESR1 (0.41) ESR1ACP3TSHRACHECYP19A1
SCHEMBL6221831 0.83 ESR1 (0.46) ESR1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL18242291 0.79 GABRA1 (0.41) SLC6A2SLC6A4SLC6A3TSHRCYP2D6
SCHEMBL18242250 0.79 HTT (0.41) TSHRALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL11366354 0.78 ESR1 (0.46) ESR1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL9330275 0.78 CYP19A1 (0.49) ESR1ACP3SLC6A2SLC6A4SLC6A3
SCHEMBL5610383 0.78 TSHR (0.53) TSHRALDH1A1POLBSMN1; SMN2CYP3A4
SCHEMBL5610560 0.78 TAS1R3 (0.41) ALDH1A1MC4RCYP3A4CYP2C9
SCHEMBL5609985 0.78 NISCH (0.42) ACP3SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL18243123 0.78 FFAR1 (0.36) SLC6A2SLC6A4SLC6A3TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0226641-B1 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-18 EP disclosed
US-4713381-A ANTICOAGULANTS, ANALGESICS, ANTIINFLAMMATORY AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-12-15 US disclosed
EP-0226641-A1 OXODIAZINE COMPOUNDS. YOSHITOMI PHARMACEUTICAL (JP) 1987-07-01 EP disclosed
WO-1986007059-A2 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-12-04 WO 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 (6 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ESR1 775/4885ACP3 2842/4885SLC6A2 2936/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ESR1 775/4885ACP3 2842/4885SLC6A2 2936/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ESR1 2451/4885ACP3 1010/4885SLC6A2 2957/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ESR1 2775/4885ACP3 4530/4885SLC6A2 3988/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ESR1 2775/4885ACP3 4530/4885SLC6A2 3988/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ESR1 2451/4885ACP3 1010/4885SLC6A2 2957/4885

“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.