SCHEMBL172394

SCHEMBL172394

COc1ccc(OC(=O)C2CCC(C)CC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
POLB P06746 2/20 0.42
PDE4B Q07343 1/20 0.42
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.38
GRK6 P43250 1/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL172319 0.96 POLB (0.42) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL19728192 0.94 KMT2A (0.40) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL10091260 0.88 ESR1 (0.47) HPGDPOLBKMT2ARAB9AL3MBTL1
SCHEMBL9999751 0.87 KMT2A (0.40) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL15727942 0.87 HPGD (0.42) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL9562707 0.84 POLB (0.45) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL9562711 0.84 POLB (0.45) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL9999753 0.83 KMT2A (0.38) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL16809943 0.83 POLB (0.41) HPGDPOLBPDE4BKMT2ARAB9A
SCHEMBL18069641 0.82 KMT2A (0.40) HPGDPDE4BKMT2ARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230295510-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
US-20180216006-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
US-20180163136-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-14 US disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 EP disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 US disclosed
EP-2199362-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 WO disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP disclosed
US-20090309066-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 GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 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 (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-20180216006-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, AQP1 HPGD 4148/4885POLB 318/4885PDE4B 350/4885
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, AQP1 HPGD 4359/4885POLB 264/4885PDE4B 309/4885
US-20090309066-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 VIM, CDH1, LEF1 HPGD 3765/4885POLB 172/4885PDE4B 2775/4885

“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.