SCHEMBL2396830

SCHEMBL2396830

CCCCCC1CCC(c2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
S1PR3 Q99500 1/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 2/20 0.35
S1PR1 P21453 3/20 0.34
SGPL1 O95470 2/20 0.34

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
SCHEMBL28366793 1.00 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL30309465 1.00 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL28382459 0.96 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL2392780 0.91 CYP2C9 (0.49) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL6558027 0.91 CYP2C9 (0.49) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL30400657 0.91 CYP2C9 (0.49) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL12622943 0.90 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8222398 0.89 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8222400 0.89 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8222402 0.89 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111770909-B Polymerizable compound, liquid crystal composition using same, and liquid crystal display element DIC株式会社 2024-01-30 CN disclosed
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used DIC CORPORATION (JP) 2023-09-19 US disclosed
US-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used DIC CORPORATION (JP) 2023-09-19 US disclosed
CN-110573490-B Polymerizable compound and liquid crystal composition DIC株式会社(JP) 2023-01-13 CN disclosed
CN-111194305-B Polymerizable compound, and liquid crystal composition and liquid crystal display element using same DIC株式会社 2023-01-03 CN disclosed
CN-111770909-A Polymerizable compound, and liquid crystal composition and liquid crystal display element using same DIC株式会社 2020-10-13 CN disclosed
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED DIC CORPORATION (JP) 2020-10-01 US disclosed
CN-111194305-A Polymerizable compound, and liquid crystal composition and liquid crystal display element using same DIC株式会社 2020-05-22 CN disclosed
CN-110573490-A Polymerizable compound and liquid crystal composition DIC株式会社 2019-12-13 CN disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 EP 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-11760934-B2 Polymerizable compound, and liquid crystal composition and liquid crystal display element in which the compound is used SFXN1, SFXN3, SIK3 CYP2C9 1642/4885MAPT 4455/4885MEN1 3058/4885
US-20200308488-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT IN WHICH THE COMPOUND IS USED SFXN1, SFXN3, SIK3 CYP2C9 1642/4885MAPT 4455/4885MEN1 3058/4885
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT CYP2C9 1926/4885MAPT 188/4885MEN1 1993/4885

“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.