SCHEMBL172438

SCHEMBL172438

COc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
S1PR1 P21453 1/20 0.38
TGFBR1 P36897 2/20 0.37
ACVR1 Q04771 2/20 0.37
KCNH2 Q12809 1/20 0.36
FPR2 P25090 4/20 0.35
NR3C1 P04150 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM1A O60341 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 1/20 0.33
FASN P49327 1/20 0.33
IL2 P60568 1/20 0.33
MAP4K1 Q92918 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
SCHEMBL12437068 0.99 ESR2 (0.41) ESR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL13263141 0.91 FASN (0.42) ESR2TGFBR1ACVR1FPR2NR3C1
SCHEMBL10030943 0.89 PTGS2 (0.43) ESR2TGFBR1ACVR1FPR2KDM1A
SCHEMBL802726 0.89 PTGS2 (0.43) ESR2TGFBR1ACVR1FPR2KDM1A
SCHEMBL26802110 0.88 S1PR1 (0.47) S1PR1TGFBR1ACVR1KCNH2FPR2
SCHEMBL9999754 0.88 ESR2 (0.40) ESR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL14205128 0.88 ESR2 (0.40) ESR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL12999661 0.88 FASN (0.40) ESR2TGFBR1ACVR1FPR2NR3C1
SCHEMBL12999898 0.87 ALOX5AP (0.41) FPR2ALOX5APFEN1
SCHEMBL18287662 0.87 KDM1A (0.38) S1PR1TGFBR1ACVR1KCNH2ALOX5AP

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 350 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
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
EP-4306615-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP 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
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 EP disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
EP-4273207-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-11-08 EP disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080193681-A1 Liquid-Crystal Medium MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080191167-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-08-14 US disclosed
US-7371437-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20080090026-A1 Liquid-crystal display MERCK PATENT GMBH 2008-04-17 US disclosed
US-7335403-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-02-26 US disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 WO disclosed
US-20070080324-A1 mixture of polar compounds of negative dielectric anisotropy; electro-optical display with active-matrix addressing based on the ECB(electrically controlled birefringence), PALC (positive charge assisted leakage current) or IPS ( in plane switching) effect MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070051920-A1 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-08 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 (1 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-20080090026-A1 Liquid-crystal display KLK3, LPXN, BPHL ESR2 3823/4885S1PR1 2017/4885TGFBR1 3549/4885

“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.