SCHEMBL2233394

SCHEMBL2233394

CCCOc1ccc(O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
LTA4H P09960 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ESR1 P03372 5/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
CSNK2A1 P68400 2/20 0.38

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
SCHEMBL10335833 0.93 PDE4D (0.41) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL1243321 0.91 ESR1 (0.48) LTA4HESR1L3MBTL1CYP1A2CYP2D6
SCHEMBL9419349 0.89 ESR1 (0.48) MAPTMEN1ALDH1A1KMT2ALTA4H
SCHEMBL29362239 0.89 ESR1 (0.48) MAPTMEN1ALDH1A1KMT2ALTA4H
SCHEMBL19450271 0.88 MAPT (0.48) MAPTKDM4EMEN1USP2ALDH1A1
SCHEMBL9419297 0.87 ESR1 (0.50) MAPTMEN1ALDH1A1KMT2ALTA4H
SCHEMBL9419252 0.87 ESR1 (0.50) MAPTMEN1ALDH1A1KMT2ALTA4H
SCHEMBL7557774 0.87 ESR1 (0.50) MAPTMEN1ALDH1A1KMT2ALTA4H
SCHEMBL9419240 0.87 ESR1 (0.50) MAPTMEN1ALDH1A1KMT2ALTA4H
SCHEMBL10336186 0.87 NR5A1 (0.47) MAPTMEN1TP53KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-110922306-B Synthesis process of 2, 3-difluoro-4-alkoxyl phenol 蚌埠中实化学技术有限公司 2023-09-29 CN disclosed
CN-115926807-A Liquid crystal medium and application 深圳市和力信材料有限公司 2023-04-07 CN disclosed
CN-107345140-B Liquid crystal compound with isobutyl negative dielectric anisotropy and application thereof 北京八亿时空液晶科技股份有限公司 2021-01-15 CN disclosed
CN-109575936-B Liquid crystal compound, liquid crystal composition, and liquid crystal display element 达兴材料股份有限公司 2020-11-03 CN disclosed
CN-110922306-A Synthesis process of 2, 3-difluoro-4-alkoxy phenol 蚌埠中实化学技术有限公司 2020-03-27 CN disclosed
CN-109575936-A Liquid crystal compound, liquid crystal composition, and liquid crystal display element 达兴材料股份有限公司 2019-04-05 CN disclosed
US-9777216-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-10-03 US disclosed
CN-105295947-A Manufacturing method by contacting hydrogen reduction DAINIPPON INK & CHEMICALS 2016-02-03 CN disclosed
EP-2534223-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-21 EP disclosed
EP-2534223-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2012-12-19 EP disclosed
US-20120305843-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
CN-102753653-A Liquid crystalline medium MERCK PATENT GMBH 2012-10-24 CN disclosed
WO-2011098224-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 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-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES 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 (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-20120305843-A1 LIQUID CRYSTALLINE MEDIUM NEFM, VIM, PLG MAPT 267/4885KDM4E 3357/4885MEN1 1183/4885

“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.