SCHEMBL2867593

SCHEMBL2867593

FC(F)(OC(F)(F)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PTPN1 P18031 2/20 0.42
MAPK1 P28482 1/20 0.42
KCNN4 O15554 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KIF11 P52732 2/20 0.40
ALOX15 P16050 1/20 0.39
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
TRPV6 Q9H1D0 1/20 0.33
CYP1A2 P05177 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL10202598 0.85 MAPK1 (0.46) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL914885 0.78 ALDH1A1 (0.50) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL17763368 0.78 TSHR (0.50) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL10496222 0.77 TSHR (0.55) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL8589920 0.76 TSHR (0.48) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL14768736 0.76 TSHR (0.48) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL5663879 0.74 ALDH1A1 (0.46) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL10268267 0.72 ALDH1A1 (0.44) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL20815738 0.72 ALDH1A1 (0.44) TSHRALDH1A1PTPN1MAPK1KCNN4
SCHEMBL2938708 0.72 ALDH1A1 (0.50) TSHRALDH1A1PTPN1MAPK1KCNN4

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
CN-1183075-C Benzene derivative and its prepn. method �����ɷ� 2005-01-05 CN claimed
US-6231785-B1 USEFUL FOR LIQUID CRYSTALLINE MATERIALS CHISSO CORPORATION (JP) 2001-05-15 US claimed
CN-1255475-A Benzene derivative and its prepn. method CHISSO CORP (JP) 2000-06-07 CN claimed
JP-10017544-A None JP disclosed
CN-110240587-B Aryl difluoro benzyl ether compounds, preparation method and application 中国科学院上海药物研究所 2022-01-04 CN disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
EP-2248872-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-11-10 EP disclosed
CN-101360513-A Biodegradable and thermosensitive poly(organophosphazene) hydrogel, preparation method thereof and use thereof KOREA INST SCI & TECH (KR) 2009-02-04 CN disclosed
EP-1908813-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2008-04-09 EP disclosed
EP-1908811-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2008-04-09 EP disclosed
US-7326447-B2 Benzochromene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-05 US disclosed
CN-1183075-C Benzene derivative and its prepn. method �����ɷ� 2005-01-05 CN disclosed
JP-2003261478-A METHOD FOR PRODUCING DIFLUOROBENZYL BROMIDE DERIVATIVE AND DIFLUOROBENZYL ETHER DERIVATIVE SEIMI CHEM CO LTD 2003-09-16 JP disclosed
US-6231785-B1 USEFUL FOR LIQUID CRYSTALLINE MATERIALS CHISSO CORPORATION (JP) 2001-05-15 US disclosed
US-6231785-B1 USEFUL FOR LIQUID CRYSTALLINE MATERIALS CHISSO CORPORATION (JP) 2001-05-15 US disclosed
CN-1255475-A Benzene derivative and its prepn. method CHISSO CORP (JP) 2000-06-07 CN disclosed
CN-1255475-A Benzene derivative and its prepn. method CHISSO CORP (JP) 2000-06-07 CN disclosed
JP-2000095715-A BENZENE DERIVATIVE AND ITS PRODUCTION CHISSO CORP 2000-04-04 JP disclosed
JP-H1017544-A THION-O-ESTER DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1998-01-20 JP disclosed
US-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 US 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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL TSHR 4580/4885ALDH1A1 2323/4885PTPN1 1405/4885

“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.