SCHEMBL4297552

SCHEMBL4297552

CCCCCCCCCc1ccc(CO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.69
ADRA2A P08913 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
TACR2 P21452 2/20 0.69
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 1/20 0.69
LMNA P02545 1/20 0.69
SHBG P04278 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
HSPD1 P10809 1/20 0.69
ADRB3 P13945 1/20 0.69
HTR2C P28335 1/20 0.69
HSPE1 P61604 1/20 0.69
HIF1A Q16665 1/20 0.69
TST Q16762 1/20 0.69
HSD17B10 Q99714 1/20 0.69

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
SCHEMBL7769065 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL359311 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL359592 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL358879 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL176980 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL359570 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9600021 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11031408 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL357024 0.98 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL24672063 0.94 RARB (0.64) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110846050-B Bent azo liquid crystal compound and preparation method and application thereof 武汉轻工大学 2021-09-17 CN disclosed
CN-110846050-A Bent azo liquid crystal compound and preparation method and application thereof 武汉轻工大学 2020-02-28 CN disclosed
US-9775356-B2 Aqueous alcoholic microbicidal compositions comprising zinc ions RECKITT BENCKISER LLC (US) 2017-10-03 US disclosed
US-20170238550-A1 Aqueous Alcoholic Microbicidal Compositions Comprising Copper Ions RECKITT BENCKISER LLC. 2017-08-24 US disclosed
US-9707162-B2 Microbicidal personal care compositions comprising metal ions RECKITT & COLMAN (OVERSEAS) LIMITED (GB) 2017-07-18 US disclosed
US-9565858-B2 Aqueous alcoholic microbicidal compositions comprising zinc ions RECKITT BENCKISER LLC (US) 2017-02-14 US disclosed
US-9505619-B2 Graphitic nanotubes in luminescence assays MESO SCALE TECHNOLOGIES, LLC. (US) 2016-11-29 US disclosed
US-20160158122-A1 Microbicidal Personal Care Compositions Comprising Metal Ions RECKITT & COLMAN (OVERSEAS) HEALTH LIMITED (GB) 2016-06-09 US disclosed
US-20150327544-A1 Sprayable, Aqueous Alcoholic Microbicidal Compositions Comprising Zinc Ions RECKITT BENCKISER LLC 2015-11-19 US disclosed
US-20150237867-A1 Aqueous Alcoholic Microbicidal Compositions Comprising Zinc Ions RECKITT BENCKISER LLC 2015-08-27 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP 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-20160158122-A1 Microbicidal Personal Care Compositions Comprising Metal Ions POLR1C, SOD1, CUTA ESR1 283/4885ADRA2A 3990/4885ADORA3 2569/4885
US-20150237867-A1 Aqueous Alcoholic Microbicidal Compositions Comprising Zinc Ions AP3M1, AP2M1, AP1M1 ESR1 2376/4885ADRA2A 1538/4885ADORA3 1010/4885
US-20170238550-A1 Aqueous Alcoholic Microbicidal Compositions Comprising Copper Ions AP2M1, AP1M1, AP3M1 ESR1 966/4885ADRA2A 1943/4885ADORA3 669/4885
US-20150327544-A1 Sprayable, Aqueous Alcoholic Microbicidal Compositions Comprising Zinc Ions AP3M1, AP1M1, AP2M1 ESR1 2568/4885ADRA2A 880/4885ADORA3 505/4885

“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.