SCHEMBL4567627

SCHEMBL4567627

Cc1ccc(-c2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PDK2 Q15119 1/20 0.38
GPR3 P46089 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AR P10275 1/20 0.36
RPS6KA3 P51812 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
ALKBH3 Q96Q83 2/20 0.33
PTPN5 P54829 1/20 0.33
GRM2 Q14416 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL13265423 1.00 ALOX5AP (0.39) ALOX5APFEN1PDK2GPR3PDE3B
SCHEMBL12889451 0.89 CYP11B1 (0.39) ALOX5APFEN1PDK2GPR3AR
SCHEMBL20118151 0.88 ALOX5AP (0.37) ALOX5APFEN1PDK2GPR3PDE3B
SCHEMBL17050141 0.87 PDK2 (0.36) ALOX5APFEN1PDK2PDE3BPDE3A
SCHEMBL18857306 0.86 CHRM5 (0.41) ALOX5APFEN1PDK2PDE3BPDE3A
SCHEMBL22416041 0.86 PDK2 (0.34) ALOX5APFEN1PDK2GPR3PDE3B
SCHEMBL9226902 0.84 GPR3 (0.48) ALOX5APFEN1PDK2GPR3PDE3B
SCHEMBL13453863 0.84 ALOX5AP (0.39) ALOX5APFEN1GPR3CYP11B1CYP11B2
SCHEMBL9911959 0.84 GRM2 (0.41) ALOX5APFEN1FFAR4FFAR1GRM2
SCHEMBL22606817 0.81 RARB (0.39) ALOX5APFEN1PDK2FFAR4FFAR1

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 82 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-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-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-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-9593279-B2 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
US-9593279-B2 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
WO-2016188622-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2016-12-01 WO disclosed
WO-2016107670-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2016-07-07 WO disclosed
WO-2016066242-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2016-05-06 WO disclosed
WO-2016008568-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2016-01-21 WO disclosed
EP-2456841-B1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
US-8557142-B2 Compounds for a liquid crystal medium and high-frequency components containing said liquid crystal medium MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20120119141-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-05-17 US disclosed
WO-2011009524-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2011-01-27 WO 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 ALOX5AP 4739/4885FEN1 4188/4885PDK2 4357/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 ALOX5AP 4743/4885FEN1 3430/4885PDK2 4366/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 ALOX5AP 3593/4885FEN1 4028/4885PDK2 1419/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 ALOX5AP 4850/4885FEN1 4107/4885PDK2 4419/4885

“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.