SCHEMBL698604

SCHEMBL698604

OCc1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
RIPK1 Q13546 1/20 0.40
CA2 P00918 1/20 0.37
P2RX7 Q99572 9/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
ALKBH1 Q13686 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL522658 0.89 APOBEC3G (0.36) APOBEC3G
SCHEMBL3310848 0.85 CES2 (0.38) CES2CES1RIPK1CA2P2RX7
SCHEMBL3144290 0.80 MEP1B (0.39) CES2CES1RIPK1GPR84
SCHEMBL6489433 0.80 GPR84 (0.35) CES2CES1RIPK1GPR84
SCHEMBL20607946 0.80 CES2 (0.33) CES2CES1RIPK1GPR84MAPK1
SCHEMBL15903837 0.80 CES2 (0.38) CES2CES1RIPK1CA2P2RX7
SCHEMBL1241765 0.80 CES2 (0.38) CES2CES1RIPK1CA2P2RX7
SCHEMBL16880602 0.79 APOBEC3G (0.31) APOBEC3G
SCHEMBL2974841 0.79 CES2 (0.41) CES2CES1RIPK1CA2P2RX7
SCHEMBL4621767 0.78 MAPK1 (0.36) RIPK1MAPK1MAP2K4MAPKAPK2MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 CN claimed
CN-115745766-A Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2023-03-07 CN claimed
CN-112341546-B Preparation method of fluorinated biomass membrane material 北京化工大学 2022-07-05 CN claimed
CN-112341546-A Preparation method of fluorinated biomass membrane material 北京化工大学 2021-02-09 CN claimed
CN-111253415-A Norcantharidin carboxylic acid trifluorobenzyl ester and synthetic method and application thereof 遵义医科大学 2020-06-09 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-3882235-B1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND UNIV KOBE NAT UNIV CORP (JP) 2025-01-22 EP disclosed
EP-4219463-B1 TERPYRIDINE DIKETONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN SALUBRIS PHARM CO LTD (CN) 2025-01-15 EP disclosed
EP-4484407-A2 (METH)ACRYLATE COMPOUND, ADDITIVE FOR OPTICAL RESIN, OPTICAL ELEMENT, AND OPTICAL DEVICE NIKON CORPORATION (JP) 2025-01-01 EP disclosed
US-12060312-B2 Production method for isocyanate compound NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2024-08-13 US disclosed
US-20240166627-A1 Terpyridinedione compound or salt thereof, and preparation method and application thereof SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2024-05-23 US disclosed
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 CN disclosed
CN-116648244-B Terpyridyl dione compound or salt thereof, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-12-15 CN disclosed
US-6452056-B1 REDUCING FLUORINATED BENZONITRILE TO A BENZYLAMINE WHICH IS REPLACED WITH A HYDROXYL GROUP ASAHI GLASS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
EP-1140759-A1 POLYMERIZABLE HALOGENATED VINYL ETHERS AlliedSignal Inc. (US) 2001-10-10 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 WO disclosed
EP-1114809-A1 PROCESS FOR THE PREPARATION OF FLUOROBENZYL DERIVATIVES Asahi Glass Co., Ltd. (JP) 2001-07-11 EP disclosed
WO-2000037403-A1 POLYMERIZABLE HALOGENATED VINYL ETHERS ALLIEDSIGNAL INC. (US) 2000-06-29 WO disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 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-20240166627-A1 Terpyridinedione compound or salt thereof, and preparation method and application thereof TNF, MAPKAPK2, MAPK1 CES2 3991/4885CES1 3473/4885RIPK1 326/4885
US-12060312-B2 Production method for isocyanate compound IDH2, CBR3, IDH3A CES2 1339/4885CES1 2811/4885RIPK1 4133/4885

“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.