SCHEMBL2089930

SCHEMBL2089930

CCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
FAAH O00519 1/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 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
SCHEMBL13798097 0.98 FAAH (0.57) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL2615716 0.98 FAAH (0.57) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL9352104 0.98 TAAR1 (0.53) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL2093367 0.98 FAAH (0.57) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL924516 0.98 FAAH (0.57) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL9349090 0.96 FAAH (0.56) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL9349203 0.96 FAAH (0.56) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL9347785 0.96 FAAH (0.56) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL17108417 0.94 MAOB (0.58) TAAR1FAAHESR1ADRA2AADORA3
SCHEMBL10382748 0.94 MAOB (0.58) TAAR1FAAHESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384661-B Mineralocorticoid receptor antagonists 默沙东公司 2016-08-10 CN claimed
US-11584852-B2 Compound and colored resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-02-21 US disclosed
US-20210002487-A1 COMPOUND AND COLORED RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-07 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
WO-2019163732-A1 COMPOUND AND COLORING RESIN COMPOSITION 住友化学株式会社 2019-08-29 WO disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
CN-107922830-A Electrochromic compounds and the optical article containing them 依视路国际公司 2018-04-17 CN disclosed
CN-107760174-A A kind of hydrophobic type weather-resistant powder paint and preparation method thereof 浙江捷宇新材料科技股份有限公司 2018-03-06 CN disclosed
EP-2981518-A2 \"AN IMPROVED PROCESS FOR THE PREPARATION OF FLUVOXAMINE MALEATE\ ZCL Chemicals Ltd. (IN) 2016-02-10 EP disclosed
WO-2014178064-A2 \"AN IMPROVED PROCESS FOR THE PREPARATION OF FLUVOXAMINE MALEATE\ ZCL CHEMICALS LIMITED (IN) 2014-11-06 WO disclosed
WO-2008128062-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NK T CELLS THE ROCKEFELLER UNIVERSITY (US) 2008-10-23 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 US disclosed
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 US disclosed
CN-1950337-A (4, 5,6, 7-tetrahydro-1-H-indol-7-yl) acetic acid derivatives for the treatment of Alzheimer's disease MERCK SHARP & DOHME (GB) 2007-04-18 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
CN-1524071-A Malononitrile compounds and their use as pesticides ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TAAR1 163/4885FAAH 3448/4885ESR1 1871/4885
US-11584852-B2 Compound and colored resin composition H1-0, HRH3, HRH4 TAAR1 1486/4885FAAH 1740/4885ESR1 1650/4885
US-20210002487-A1 COMPOUND AND COLORED RESIN COMPOSITION H1-0, HRH3, HRH4 TAAR1 1486/4885FAAH 1740/4885ESR1 1650/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 TAAR1 748/4885FAAH 1553/4885ESR1 1837/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 TAAR1 748/4885FAAH 1553/4885ESR1 1837/4885
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells CD69, KLRK1, PBK TAAR1 2104/4885FAAH 1204/4885ESR1 4675/4885

“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.