SCHEMBL4080844

SCHEMBL4080844

CCCCCCCCCCOC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.58
NAAA Q02083 1/20 0.55
EPHX1 P07099 1/20 0.52
FAAH O00519 8/20 0.50
CES1 P23141 5/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5470496 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL4765360 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL28781368 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL28472787 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL4361492 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL1123659 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL30475134 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL2691990 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL4255348 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL2691404 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US claimed
CN-117323278-A Hair loss prevention nursing agent and preparation method thereof 白银热玛三肽细胞食物科技有限公司 2024-01-02 CN claimed
EP-4112049-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2023-01-04 EP claimed
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
CN-117323278-A Hair loss prevention nursing agent and preparation method thereof 白银热玛三肽细胞食物科技有限公司 2024-01-02 CN disclosed
EP-4112049-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2023-01-04 EP disclosed
CN-107849017-B 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors 辉瑞公司 2021-03-30 CN disclosed
CN-107849017-A 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAG L inhibitors 辉瑞公司 2018-03-27 CN disclosed
CN-103554107-B AZAADAMANTANE DERIVATIVES AND METHODS OF USE 艾伯维巴哈马有限公司 2016-08-17 CN disclosed
CN-104125960-A Derivatives of aza adamantane and uses thereof CONNEXIOS LIFE SCIENCES PVT LTD 2014-10-29 CN disclosed
CN-1029403-C 2-oxo-1-oxa-8-azaspiro [4,5] decane derivatives, pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZET (HU) 1995-08-02 CN disclosed
EP-0441807-B1 LIQUID PHASE FLUORINATION EXFLUOR RES CORP (US) 1995-03-22 EP disclosed
US-5332790-A Liquid-phase fluorination EXFLUOR RESEARCH CORPORATION (US) 1994-07-26 US disclosed
US-5322904-A Liquid-phase fluorination EXFLUOR RESEARCH CORPORATION (US) 1994-06-21 US disclosed
US-5322903-A Liquid-phase fluorination EXFLUOR RESEARCH CORPORATION (US) 1994-06-21 US disclosed
US-5093432-A Perfluorination of esters or ethers EXFLUOR RESEARCH CORPORATION (US) 1992-03-03 US disclosed
EP-0441807-A1 LIQUID PHASE FLUORINATION. EXFLUOR RES CORP (US) 1991-08-21 EP disclosed
CN-1049348-A New 2-oxo-1-oxa--8-azaspiro [4,5] decane derivative contains their pharmaceutical composition and preparation method thereof RICHTER GEDEON VEGYESZET (HU) 1991-02-20 CN disclosed
WO-1990003353-A1 LIQUID PHASE FLUORINATION EXFLUOR RESEARCH CORPORATION (US) 1990-04-05 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 (1 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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 CES2 3503/4885NAAA 1540/4885EPHX1 3453/4885

“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.