SCHEMBL4087411

SCHEMBL4087411

OB(O)Oc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NFE2L2 Q16236 2/20 0.31
IDO1 P14902 1/20 0.31
AGXT P21549 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
SCHEMBL30300590 1.00 CA3 (0.43) CA3CA6CA5ACA9CA14
SCHEMBL2268873 0.83 CES2 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL30523912 0.83 CES2 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL6277951 0.82 IDO1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL28391205 0.81 PPARG (0.36) ALDH1A1MAPTKMT2A
SCHEMBL30767833 0.81 CA3 (0.41) CA3CA6CA5ACA9CA14
SCHEMBL29177129 0.81 CA3 (0.41) CA3CA6CA5ACA9CA14
SCHEMBL30388199 0.81 PPARG (0.36) ALDH1A1MAPTKMT2A
SCHEMBL30696147 0.81 MAOB (0.38) CA3CA6CA5ACA9CA14
SCHEMBL29191188 0.79 SLC6A4 (0.36) ORAI1ORAI2ORAI3TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118336009-A Phenylboronic acid-based additive and electrolyte for lithium/carbon fluoride primary battery 上海大学 2024-07-12 CN claimed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
CN-118336009-A Phenylboronic acid-based additive and electrolyte for lithium/carbon fluoride primary battery 上海大学 2024-07-12 CN disclosed
CN-103415507-B As the 3-amino-pyridine class of GPBAR1 agonist HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
CN-103415507-A 3-amino-pyridines as GPBAR1 agonists HOFFMANN LA ROCHE 2013-11-27 CN disclosed
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
CN-1284626-C Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEM PATENTS INC (US) 2006-11-15 CN disclosed
US-6919291-B2 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-07-19 US disclosed
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2004-06-10 US disclosed
CN-1477995-A Fluorinated zwitterionic cocatalyst activators for olefin polymerization 埃克森美孚化学专利公司 2004-02-25 CN disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
EP-1349653-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2003-10-08 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
WO-2002036639-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-05-10 WO disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
EP-0574794-B1 Organic transition metal compound having a pi-bonding heterocyclic ligand and method of polymerizing olefins by using the same TOSOH CORP (JP) 2000-09-06 EP disclosed
EP-0574794-A1 Organic transition metal compound having a pi-bonding heterocyclic ligand and method of polymerizing olefins by using the same TOSOH CORPORATION (JP) 1993-12-22 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 (3 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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CA3 3855/4885CA6 2521/4885CA5A 2853/4885
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization FZD7, FOS, COG4 CA3 805/4885CA6 3501/4885CA5A 4622/4885
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR CA3 555/4885CA6 1822/4885CA5A 811/4885

“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.