SCHEMBL704976

SCHEMBL704976

CCOc1ccc(C(=O)O)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
GLA P06280 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
WDR5 P61964 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
CREBBP Q92793 1/20 0.42
CYP3A4 P08684 1/20 0.42
FABP4 P15090 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9419355 0.86 RARA (0.49) TSHR
SCHEMBL29091677 0.86 HSD17B10 (0.45) TSHRHSD17B10LMNAL3MBTL1GAA
SCHEMBL2592081 0.86 L3MBTL1 (0.50) TSHRHSD17B10LMNAL3MBTL1GAA
SCHEMBL2338336 0.85 PTPN11 (0.53) TSHRLMNAKMT2ACYP3A4MEN1
SCHEMBL9191916 0.84 PTPN11 (0.56) TSHRLMNAKMT2ACYP3A4MEN1
SCHEMBL9164667 0.84 PTPN11 (0.56) TSHRLMNAKMT2ACYP3A4MEN1
SCHEMBL9407189 0.84 PTPN11 (0.56) TSHRLMNAKMT2ACYP3A4MEN1
SCHEMBL9341888 0.84 KDM4E (0.42) TSHRHSD17B10LMNAL3MBTL1GLA
SCHEMBL29625882 0.83 HSD17B10 (0.40) TSHRHSD17B10LMNAL3MBTL1GAA
SCHEMBL29625868 0.83 HSD17B10 (0.40) TSHRHSD17B10LMNAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124196-B2 Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-8124196-B2 Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
US-7442475-B2 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-7442475-B2 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-7442475-B2 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-20060165916-A1 Cyanopyridone derivatives as liquid crystals MERCK PATENT GMBH (DE) 2006-07-27 US disclosed
EP-1594842-A1 CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
WO-2004074253-A1 CYANOPYRIDONE DERIVATIVES AS LIQUID CRYSTALS MERCK PATENT GMBH (DE) 2004-09-02 WO disclosed
EP-1081123-A2 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2001-03-07 EP disclosed
US-5595686-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-01-21 US disclosed
EP-0699683-A1 Novel silacyclohexane compounds a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-06 EP disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
US-5230827-A DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-27 US disclosed
EP-0358741-B1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed
EP-0358741-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID. MERCK PATENT GMBH (DE) 1990-03-21 EP disclosed
WO-1989008688-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 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 (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-20060165916-A1 Cyanopyridone derivatives as liquid crystals EPM2A, ACMSD, CSPP1 TSHR 3268/4885HSD17B10 2440/4885LMNA 2872/4885
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF AFF2, FPR2, SLCO1A2 TSHR 1377/4885HSD17B10 1426/4885LMNA 2238/4885

“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.