SCHEMBL803426

SCHEMBL803426

Cc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
PTGS2 P35354 4/20 0.46
PTGS1 P23219 2/20 0.44
RPS6KA3 P51812 1/20 0.44
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL4567632 0.98 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL10018702 0.96 PTGS2 (0.48) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL13444659 0.94 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL10013948 0.93 PTGS2 (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL13967517 0.93 PTGS2 (0.46) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL2741567 0.92 APP (0.46) PDE3BPDE3APTGS2AKR1C3AKR1C2
SCHEMBL4567629 0.91 PDE3B (0.48) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL4567630 0.91 PDE3B (0.50) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL172359 0.89 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1RPS6KA3
SCHEMBL12826296 0.89 NFE2L2 (0.47) PDE3BPDE3APTGS2PTGS1AKR1C3

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 200 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-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
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-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 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-11739265-B2 Aromatic isothiocyanates 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-7462297-B2 Chiral dopants having a laterally alkylated phenyl structural element MERCK PATENT GMBH (DE) 2008-12-09 US disclosed
US-7445819-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-11-04 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
US-20080124492-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH 2008-05-29 US disclosed
US-20080090026-A1 Liquid-crystal display MERCK PATENT GMBH 2008-04-17 US disclosed
US-7314653-B2 Liquid-crystal medium and electro-optical display containing same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-01 US disclosed
US-20070237907-A1 PHOTOSTABLE LIQUID-CRYSTALLINE MEDIUM MANABE ATSUTAKA 2007-10-11 US disclosed
US-20070235688-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT 2007-10-11 US disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 US disclosed
US-20070034829-A1 liquid crystalline medium comprises at least one strongly polar two-ring compound containing at least one fluorine group and two benezne rings; liquid-crystalline medium has a dielectric relaxation frequency of more than 200 kHz at a temperature of 0 degrees C.; use in active matrix displays MERCK PATENT GMBH (DE) 2007-02-15 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 (4 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 PDE3B 2771/4885PDE3A 2340/4885PTGS2 4474/4885
US-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 PDE3B 3262/4885PDE3A 3309/4885PTGS2 4365/4885
US-20080090026-A1 Liquid-crystal display KLK3, LPXN, BPHL PDE3B 980/4885PDE3A 743/4885PTGS2 4553/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 PDE3B 3060/4885PDE3A 3325/4885PTGS2 4025/4885

“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.