SCHEMBL3440740

SCHEMBL3440740

Oc1ccc(-c2cc(F)c(O)c(F)c2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.60
ESR2 Q92731 9/20 0.60
RPS6KA3 P51812 2/20 0.50
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46

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
SCHEMBL760692 0.87 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL1815385 0.83 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL17431967 0.83 ESR1 (0.56) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL12917725 0.83 ESR1 (0.56) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL2246071 0.83 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL38659424 0.82 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL28226426 0.82 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL29557461 0.81 ESR1 (0.74) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL2862424 0.81 ESR1 (0.74) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL7858240 0.81 ESR1 (0.69) ESR1ESR2HSD17B1HSD17B2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065361-B1 Polymerisable compounds MERCK PATENT GMBH (DE) 2014-12-17 EP claimed
US-7807068-B2 reacting 4-halo-2,6-difluorophenol with protecting group, dehalogenating to form protected phenol ether group, reacting with boronic acid/ester, coupling in presence of catalyst, deblocking, etherifying, esterifying; for optical, electro-optical and electronic use, liquid-crystal media and displays MERCK PATENT GESELLSCHAFT (DE) 2010-10-05 US claimed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 US claimed
EP-2065361-A2 Polymerisable compounds Merck Patent GmbH (DE) 2009-06-03 EP claimed
WO-2015115589-A1 HALOGEN ATOM-SUBSTITUTED POLYMERIZABLE COMPOUND 日産化学工業株式会社 2015-08-06 WO disclosed
EP-2065361-B1 Polymerisable compounds MERCK PATENT GMBH (DE) 2014-12-17 EP disclosed
EP-2065361-B1 Polymerisable compounds MERCK PATENT GMBH (DE) 2014-12-17 EP disclosed
US-7807068-B2 reacting 4-halo-2,6-difluorophenol with protecting group, dehalogenating to form protected phenol ether group, reacting with boronic acid/ester, coupling in presence of catalyst, deblocking, etherifying, esterifying; for optical, electro-optical and electronic use, liquid-crystal media and displays MERCK PATENT GESELLSCHAFT (DE) 2010-10-05 US disclosed
US-7807068-B2 reacting 4-halo-2,6-difluorophenol with protecting group, dehalogenating to form protected phenol ether group, reacting with boronic acid/ester, coupling in presence of catalyst, deblocking, etherifying, esterifying; for optical, electro-optical and electronic use, liquid-crystal media and displays MERCK PATENT GESELLSCHAFT (DE) 2010-10-05 US disclosed
US-7807068-B2 reacting 4-halo-2,6-difluorophenol with protecting group, dehalogenating to form protected phenol ether group, reacting with boronic acid/ester, coupling in presence of catalyst, deblocking, etherifying, esterifying; for optical, electro-optical and electronic use, liquid-crystal media and displays MERCK PATENT GESELLSCHAFT (DE) 2010-10-05 US disclosed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 US disclosed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 US disclosed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 US disclosed
EP-2065361-A2 Polymerisable compounds Merck Patent GmbH (DE) 2009-06-03 EP disclosed
EP-2065361-A2 Polymerisable compounds Merck Patent GmbH (DE) 2009-06-03 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 (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-20090141215-A1 POLYMERIZABLE COMPOUNDS VCL, LCP1, LPXN ESR1 606/4885ESR2 2083/4885RPS6KA3 3221/4885

“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.