SCHEMBL10458362

SCHEMBL10458362

Oc1ccc(OCCF)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.65
LTA4H P09960 3/20 0.55
NR5A1 Q13285 1/20 0.55
ALDH1A1 P00352 1/20 0.52
ESR1 P03372 1/20 0.50
CYP19A1 P11511 1/20 0.50
ESR2 Q92731 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL10457449 0.87 APP (0.59) APPLTA4HALDH1A1
SCHEMBL3031836 0.86 NR5A1 (0.62) APPLTA4HNR5A1DRD2DRD4
SCHEMBL226548 0.85 LTA4H (0.64) APPLTA4HNR5A1ESR1CYP19A1
SCHEMBL274829 0.83 ALDH1A1 (0.62) APPLTA4HNR5A1ALDH1A1ESR1
SCHEMBL2473527 0.82 LTA4H (0.68) APPLTA4HNR5A1ESR1ESR2
SCHEMBL2470706 0.82 NR5A1 (0.75) LTA4HNR5A1ESR1ESR2DRD2
SCHEMBL4448744 0.81 LTA4H (0.61) APPLTA4HNR5A1ALDH1A1ESR1
SCHEMBL1437186 0.81 CYP19A1 (0.70) LTA4HNR5A1ESR1CYP19A1ESR2
SCHEMBL10458215 0.80 APP (0.53) APPALDH1A1
SCHEMBL1859432 0.80 LTA4H (0.52) APPLTA4HNR5A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 US claimed
EP-0091598-B1 FLUORO-ETHOXYPHENYL-(DI)-THIOPHOSPHORIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1985-08-07 EP claimed
EP-0091598-A2 Fluoro-ethoxyphenyl-(di)-thiophosphoric-acid esters, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1983-10-19 EP claimed
EP-3581565-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF Beijing Zhibo Bio-Medical Technology Co., Ltd. (CN) 2019-12-18 EP disclosed
US-20170037008-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF ZHANG ZHIYONG (CN) 2017-02-09 US disclosed
CN-103724207-B Phenylbenzyl ether derivative and its preparation method and application 北京智博高科生物技术有限公司 2016-07-06 CN disclosed
US-9260400-B2 I-arylpiperazinic ligands of 5-HT7 receptor and use thereof UNIVERSITA' DEGLI STUDI DI BARI “ALDO MORO” (IT) 2016-02-16 US disclosed
EP-2816037-A2 New 1-arylpiperazinic ligands of 5-HT7 receptor and use thereof Università degli Studi di Bari "Aldo Moro" (IT) 2014-12-24 EP disclosed
US-20140086834-A1 NEW I-ARYLPIPERAZINIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF UNIVERSITA' DEGLI STUDI DI BARI ''ALDO MORO'' (IT) 2014-03-27 US disclosed
WO-2012159662-A1 NEW 1-ARYLPIPERAZINIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF UNIVERSITA' DEGLI STUDI DI BARI (IT) 2012-11-29 WO disclosed
US-4552894-A INSECTICIDE, MITICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-11-12 US disclosed
US-4551448-A INSECTICIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-11-05 US disclosed
EP-0091598-B1 FLUORO-ETHOXYPHENYL-(DI)-THIOPHOSPHORIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
EP-0091598-A2 Fluoro-ethoxyphenyl-(di)-thiophosphoric-acid esters, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1983-10-19 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 (2 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-20170037008-A1 PHENYL BENZYL ETHER DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF APP, PSEN1, PSEN2 APP 1/4885LTA4H 3473/4885NR5A1 1357/4885
US-20140086834-A1 NEW I-ARYLPIPERAZINIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF HTR7, HTR2C, HTR5A APP 2418/4885LTA4H 1230/4885NR5A1 1829/4885

“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.