SCHEMBL91984

SCHEMBL91984

COc1ccc(C#Cc2ccc(C3CCC(C)CC3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
AAK1 Q2M2I8 1/20 0.32
PAX8 Q06710 5/20 0.32
NR3C1 P04150 1/20 0.32
KDM1A O60341 3/20 0.31
S1PR1 P21453 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL9512291 1.00 ESR2 (0.39) ESR2AAK1PAX8NR3C1KDM1A
SCHEMBL12230852 1.00 ESR2 (0.39) ESR2AAK1PAX8NR3C1KDM1A
SCHEMBL21165799 0.88 ESR2 (0.37) ESR2KDM1A
SCHEMBL9511367 0.88 ESR2 (0.37) ESR2KDM1A
SCHEMBL23618045 0.86 ACACB (0.33) AAK1PAX8
SCHEMBL9512315 0.86 ACACB (0.33) AAK1PAX8
SCHEMBL9509427 0.84 ESR2 (0.35) ESR2PDE4A
SCHEMBL9509449 0.84 CYP2C9 (0.41) ESR2AAK1PAX8S1PR1
SCHEMBL9512298 0.83 RAB9A (0.38) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL12892509 0.83 ESR2 (0.41) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
WO-2021134883-A1 LIQUID CRYSTAL COMPOSITION OF NEGATIVE LIQUID CRYSTAL COMPOUND HAVING METHOXY BRIDGE BOND AND USE THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9714381-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-25 US disclosed
US-20170044436-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-7678929-B2 Furochroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-03-16 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
US-7462297-B2 Chiral dopants having a laterally alkylated phenyl structural element MERCK PATENT GMBH (DE) 2008-12-09 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080177095-A1 FUROCHROMAN DERIVATIVES MERCK PATENT GMBH (DE) 2008-07-24 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 (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-20080177095-A1 FUROCHROMAN DERIVATIVES CFD, LMAN1, UROD ESR2 1410/4885AAK1 3514/4885PAX8 344/4885
US-20090023802-A1 Benzochromene Derivatives SBDS, CRY1, DDT ESR2 742/4885AAK1 2190/4885PAX8 1680/4885

“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.