SCHEMBL803146

SCHEMBL803146

Cc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
SLC6A3 Q01959 1/20 0.40
FASN P49327 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
APP P05067 2/20 0.38
HSD11B1 P28845 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
NISCH Q9Y2I1 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL4549771 0.92 CYP3A4 (0.41) ESR2SLC6A3FASNAKR1C3AKR1C2
SCHEMBL24661359 0.89 AKR1C3 (0.43) ESR2SLC6A3FASNAKR1C3AKR1C2
SCHEMBL802765 0.88 ESR2 (0.46) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL16638752 0.88 SLC6A3 (0.39) SLC6A3AKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL91805 0.87 FASN (0.45) ESR2SLC6A3FASNAKR1C3AKR1C2
SCHEMBL13615663 0.87 FASN (0.45) ESR2SLC6A3FASNAKR1C3AKR1C2
SCHEMBL17553493 0.87 ESR2 (0.45) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL12658807 0.87 ESR2 (0.45) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL15445840 0.87 ESR2 (0.45) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL22329052 0.87 ESR2 (0.47) ESR2SLC6A3FASNAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-11762241-B2 Device for the regulation of light transmission MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11760931-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11739266-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 US disclosed
US-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 US disclosed
US-7803434-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-09-28 US disclosed
US-7767280-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 US disclosed
US-7731865-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2010-06-08 US disclosed
US-20100102275-A1 LIQUID-CRYSTALLINE MEDIUM KLASEN-MEMMER MELANIE 2010-04-29 US disclosed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20090324853-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-12-31 US disclosed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 US disclosed
US-20090103011-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
US-20080191166-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-14 US disclosed
US-20080191167-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-08-14 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 ESR2 4146/4885SLC6A3 2216/4885FASN 2704/4885
US-20090141215-A1 POLYMERIZABLE COMPOUNDS VCL, LCP1, LPXN ESR2 2083/4885SLC6A3 2121/4885FASN 2844/4885

“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.