SCHEMBL186746

SCHEMBL186746

[O]c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
KIF11 P52732 5/20 0.48
EPHX2 P34913 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
TRPV6 Q9H1D0 1/20 0.46
MGLL Q99685 1/20 0.46
SRD5A2 P31213 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GSK3B P49841 2/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTPN1 P18031 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL8684058 0.85 CA1 (0.48) CES2CES1ALDH1A1KIF11EPHX2
SCHEMBL63468 0.83 ALDH1A1 (0.67) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL2092987 0.77 RORC (0.35) CES2CES1
SCHEMBL8994533 0.77 PGK1 (0.33) CES2CES1
Iodide SCHEMBL29093539 0.76 ALDH1A1 (0.59) CES2CES1ALDH1A1TSHRKIF11
Bromide SCHEMBL29093544 0.76 ALDH1A1 (0.59) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL197238 0.73 KIF11 (0.78) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL16626100 0.73 ALDH1A1 (0.56) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL13410633 0.73 KIF11 (0.78) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL29914837 0.73 KIF11 (0.78) CES2CES1ALDH1A1TSHRKIF11

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 1343 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
EP-3867333-B1 DISUBSTITUTED DIARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2022-09-14 EP claimed
CN-107922350-B Novel benzimidazole compounds and medicinal use thereof 大日本住友制药株式会社 2022-04-19 CN claimed
CN-113166138-A Disubstituted diaryloxybenzoheterodiazole compounds 艾尼股份公司 2021-07-23 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
EP-0147052-A2 Rodenticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-03 EP claimed
US-4503100-A 5-PHENYLCARBAMOYLBARBITURIC ACID AND SYNTHETIC PYRETHROID CIBA-GEIGY CORPORATION (US) 1985-03-05 US claimed
US-4496745-A Epoxycarbacyclin derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1985-01-29 US claimed
EP-0105030-A1 Protectant against moths and beetles CIBA-GEIGY AG (CH) 1984-04-04 EP claimed
EP-0093976-A1 2,4-Dihalogenbenzoyl ureas and thioureas, processes for their preparation and their use as pesticides BAYER AG (DE) 1983-11-16 EP claimed
US-4415746-A BRONCHODILATORS; HYPOTENSIVE AND ANTIFERTILITY AGENTS; OXYTOCICS AMERICAN CYANAMID COMPANY (US) 1983-11-15 US claimed
EP-0013542-B1 ALPHA-PHENOXY PROPIONIC ACID GAMMA-BUTYROLACTONE ESTERS AND THIOESTERS WITH HERBICIDAL ACTIVITY, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AS ACTIVE AGENTS AND THEIR USE CIBA-GEIGY AG (CH) 1982-06-02 EP claimed
US-4231787-A 4-(TRIFLUOROMETHYLPHENOXY)PHENOXY-PROPANOLS OR ESTERS ISHIHARA SANGYO KAISHA LTD. (JP) 1980-11-04 US claimed
EP-0013542-A1 Alpha-phenoxy propionic acid gamma-butyrolactone esters and thioesters with herbicidal activity, their preparation, compositions containing them as active agents and their use CIBA-GEIGY AG (CH) 1980-07-23 EP claimed
US-4126629-A FERTILITY CONTROL MERCK & CO., INC. (US) 1978-11-21 US claimed

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CES2 681/4885CES1 1070/4885ALDH1A1 201/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 CES2 2696/4885CES1 779/4885ALDH1A1 700/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CES2 2558/4885CES1 784/4885ALDH1A1 682/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 CES2 2558/4885CES1 784/4885ALDH1A1 682/4885

“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.