SCHEMBL4567622

SCHEMBL4567622

C=Cc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KIF11 P52732 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C1 Q04828 1/20 0.31
PTGS2 P35354 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
HDAC2 Q92769 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL15834804 0.88 ALDH1A1 (0.44) ALDH1A1KIF11HDAC8PTGS2ALOX5AP
SCHEMBL4427979 0.87 PDE3B (0.41) ALDH1A1KIF11HDAC8TP53TDP1
SCHEMBL172021 0.87 PDE3B (0.41) ALDH1A1KIF11HDAC8TP53TDP1
SCHEMBL13239279 0.86 ALDH1A1 (0.39) ALDH1A1KIF11HDAC8ALOX5APFEN1
SCHEMBL13412045 0.86 ALDH1A1 (0.39) ALDH1A1KIF11HDAC8ALOX5APFEN1
SCHEMBL13412031 0.86 MAPK14 (0.37) ALDH1A1AKR1C3AKR1C2TP53TDP1
SCHEMBL12428237 0.85 ALOX5AP (0.36) TP53ALOX5APFEN1MAPTPKM
SCHEMBL13412046 0.83 ALDH1A1 (0.37) ALDH1A1KIF11AKR1C3AKR1C2ALOX5AP
SCHEMBL13614387 0.83 ALDH1A1 (0.37) ALDH1A1KIF11ALOX5APFEN1ESR1
SCHEMBL13239294 0.82 CNR2 (0.36) ALDH1A1KIF11AKR1C3AKR1C2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-9938462-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-20180002603-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
US-20170349827-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-12-07 US disclosed
US-20170349832-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-12-07 US disclosed
US-20170306230-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2016-02-18 US disclosed
US-20160002533-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9193905-B2 Devices for high-frequency technology, liquid-crystalline media and compounds MERCK PATENT GMBH (DE) 2015-11-24 US disclosed
US-20150322344-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20140021409-A1 MESOGENIC COMPOUNDS, LIQUID-CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20140021405-A1 MESOGENIC COMPOUNDS, LIQUID-CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20130292608-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
US-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-18 US disclosed
US-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
US-20120119141-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-05-17 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 (7 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 ALDH1A1 1864/4885KIF11 668/4885HDAC8 3977/4885
US-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 ALDH1A1 2563/4885KIF11 1501/4885HDAC8 4756/4885
US-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA SFRP1, CRY1, MCM3 ALDH1A1 4516/4885KIF11 442/4885HDAC8 4820/4885
US-20150322344-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MIF, SFRP1, MCM3 ALDH1A1 4410/4885KIF11 265/4885HDAC8 4762/4885
US-20120261615-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 ALDH1A1 2563/4885KIF11 1501/4885HDAC8 4756/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 ALDH1A1 3893/4885KIF11 954/4885HDAC8 4870/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 ALDH1A1 1554/4885KIF11 721/4885HDAC8 3460/4885

“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.