SCHEMBL721202

SCHEMBL721202

O=C(O)c1c(F)c(F)c(O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
DPP4 P27487 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ALB P02768 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
Water SCHEMBL1285779 0.97 ESR1 (0.39) ESR1DPP4CA12CA1CA2
SCHEMBL8375873 0.95 ESR1 (0.38) ESR1DPP4CA12CA1CA2
SCHEMBL29773954 0.92 ESR1 (0.39) ESR1DPP4CA12CA1CA2
SCHEMBL7579018 0.92 ESR1 (0.39) ESR1DPP4CA12CA1CA2
Water SCHEMBL9861421 0.89 ESR1 (0.38) ESR1DPP4CA12CA1CA2
SCHEMBL8517367 0.89 ESR1 (0.38) ESR1DPP4CA12CA1CA2
SCHEMBL28924074 0.89 ESR1 (0.38) ESR1DPP4CA12CA1CA2
SCHEMBL31021576 0.89 ESR1 (0.38) ESR1DPP4CA12CA1CA2
SCHEMBL28209911 0.88 DPP4 (0.37) ESR1DPP4CA12CA1CA2
SCHEMBL141037 0.87 CYP1A2 (0.40) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929891-B High-strength liquid crystal polymer film, preparation method thereof and special production equipment 宁波聚嘉新材料科技有限公司(CN) 2023-01-13 CN claimed
CN-113929891-A High-strength liquid crystal polymer film, preparation method thereof and special production equipment 宁波聚嘉新材料科技有限公司 2022-01-14 CN claimed
CN-113816940-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-21 CN claimed
CN-113754634-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-07 CN claimed
CN-113214050-A Method for synthesizing 2,3,5, 6-tetrafluorophenol 宁夏忠同生物科技有限公司 2021-08-06 CN claimed
CN-110117355-B Polyester resin with excellent neutral salt spray resistance for TG IC powder coating and preparation method thereof 黄山嘉恒科技有限公司 2021-06-15 CN claimed
CN-109020805-B Fluorescent color-changing eutectic material under ultrahigh pressure condition and preparation method thereof 北京师范大学 2020-11-03 CN claimed
CN-108069832-B Preparation method of 2,3,5, 6-tetrafluorophenol 大连奇凯医药科技有限公司 2020-07-31 CN claimed
CN-102898630-B A kind of aromatic copolyester and preparation method thereof Shanghai Genius Advanced Material (Group) Co., Ltd. (CN) 2015-09-09 CN claimed
CN-102898630-A Copolyarylate and its preparation method SHANGHAI GENIUS ADVANCED MAT 2013-01-30 CN claimed
US-20120184683-A1 Amine Detection Method and Materials THE UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-07-19 US claimed
US-20100010167-A1 Aminde Detection Method and Materials THE UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-01-14 US claimed
US-7592183-B2 Amine detection method and materials THE UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2009-09-22 US claimed
US-7081984-B1 Non-linear optical devices and materials therefor QINETIQ LIMITED (GB) 2006-07-25 US claimed
US-20040266016-A1 Amine detection method and materials KALIVRETENOS ARISTOLE G 2004-12-30 US claimed
EP-1183248-B1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LTD (GB) 2003-06-18 EP claimed
WO-2003036260-A2 AMINE DETECTION METHOD AND MATERIALS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2003-05-01 WO claimed
JP-2002544546-A 2002-12-24 JP claimed
EP-1183248-A1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QinetiQ Limited (GB) 2002-03-06 EP claimed
WO-2000068217-A1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LIMITED (GB) 2000-11-16 WO claimed

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-20120184683-A1 Amine Detection Method and Materials SRM, HNMT, PIGS ESR1 2300/4885DPP4 1300/4885CA12 2121/4885

“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.