SCHEMBL2741544

SCHEMBL2741544

Cc1ccc(-c2ccc(C#Cc3cc(F)c(F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.36
KDM1A O60341 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PTGS2 P35354 4/20 0.34
GRM4 Q14833 1/20 0.34
PTGS1 P23219 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL13198901 0.90 PTGS2 (0.41) GRM5KDM1APDE3BPDE3APTGS2
SCHEMBL14228611 0.87 GRM5 (0.46) GRM5KDM1APDE3BPDE3APTGS2
SCHEMBL12814515 0.87 APP (0.44) KDM1APDE3BPDE3AESR1ESR2
SCHEMBL23335215 0.85 PDE9A (0.41) GRM5KDM1APDE3BPDE3A
SCHEMBL20005231 0.83 FFAR1 (0.34) KDM1APDE3BPDE3AFFAR1
SCHEMBL19604556 0.83 CYP1A1 (0.44) GRM5KDM1APDE3BPDE3APTGS2
SCHEMBL14228882 0.83 GRM4 (0.35) GRM5PTGS2GRM4ESR1ESR2
SCHEMBL14228704 0.82 GRM5 (0.45) GRM5GRM4FFAR1FFAR4
SCHEMBL20005240 0.82 FFAR1 (0.33) KDM1APDE3BPDE3AFFAR1
SCHEMBL20005213 0.82 FFAR1 (0.33) KDM1APDE3BPDE3AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-11739267-B2 LC medium MERCK PATENT GMBH (DE) 2023-08-29 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-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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 US disclosed
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-06-27 US disclosed
EP-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed
US-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-24 US disclosed
US-20070237907-A1 PHOTOSTABLE LIQUID-CRYSTALLINE MEDIUM MANABE ATSUTAKA 2007-10-11 US disclosed
US-7270856-B2 Cyclobutane derivatives MERCK PATENT GMBH (DE) 2007-09-18 US disclosed
US-20070176146-A1 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2007-08-02 US disclosed
US-20070170395-A1 Liquid crystal medium MERCK PATENT GESELLSCHAFT 2007-07-26 US disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 US disclosed
US-20070034830-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications. MERCK PATENT GMBH (DE) 2007-02-15 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 US disclosed
US-20070001149-A1 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2007-01-04 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 (3 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 GRM5 2803/4885KDM1A 3823/4885PDE3B 2771/4885
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays LPXN, VCL, LCP1 GRM5 3581/4885KDM1A 3097/4885PDE3B 1557/4885
US-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof C1S, CHRM1, C1R GRM5 3209/4885KDM1A 3596/4885PDE3B 2028/4885

“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.