SCHEMBL8932614

SCHEMBL8932614

CCCC1CC=C(c2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
HRH3 Q9Y5N1 1/20 0.35
BACE1 P56817 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL30357025 1.00 ESR2 (0.42) ESR2HRH3BACE1NPC1CASP3
SCHEMBL9019416 0.85 ESR2 (0.43) ESR2HRH3BACE1NPC1CASP3
SCHEMBL31279683 0.83 ESR2 (0.41) ESR2HRH3BACE1NPC1CASP3
SCHEMBL15255856 0.83 ESR2 (0.41) ESR2HRH3BACE1NPC1CASP3
SCHEMBL22122631 0.83 ESR2 (0.41) ESR2HRH3BACE1NPC1CASP3
SCHEMBL10015003 0.82 ESR2 (0.40) ESR2HRH3BACE1NPC1CASP3
SCHEMBL9828942 0.82 ESR2 (0.40) ESR2HRH3BACE1NPC1CASP3
SCHEMBL20797236 0.81 ESR2 (0.48) ESR2BACE1NPC1CASP3RAB9A
SCHEMBL11190434 0.81 ESR2 (0.54) ESR2BACE1NPC1CASP3RAB9A
SCHEMBL10931526 0.80 ESR2 (0.47) ESR2BACE1NPC1CASP3RAB9A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3874009-B1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2024-08-21 EP disclosed
EP-4189035-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2023-06-07 EP disclosed
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230061307-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2023-03-02 US disclosed
WO-2022023400-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2022-02-03 WO disclosed
US-20210403810-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2021-12-30 US disclosed
US-20210403810-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2021-12-30 US disclosed
EP-3898891-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2021-10-27 EP disclosed
CN-113508168-A Compound, liquid crystal medium and liquid crystal display comprising same 默克专利股份有限公司 2021-10-15 CN disclosed
EP-3874009-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2021-09-08 EP disclosed
WO-2020127172-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
WO-2020127172-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 ESR2 2689/4885HRH3 356/4885BACE1 3312/4885
US-11667841-B2 Dibenzofuran and dibenzothiophene derivatives DDT, MYT1, DBF4 ESR2 3924/4885HRH3 3986/4885BACE1 1547/4885
US-20210403810-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES DDT, MYT1, DBF4 ESR2 3924/4885HRH3 3986/4885BACE1 1547/4885
US-20230061307-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS NEFM, FES, EML4 ESR2 2610/4885HRH3 3732/4885BACE1 1542/4885

“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.