SCHEMBL20115656

SCHEMBL20115656

Oc1ccc2c(c1F)OCc1c-2ccc(OCC2CCCC2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BRD4 O60885 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
XDH P47989 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDK2 Q15119 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
PARP10 Q53GL7 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
SCHEMBL25693933 0.86 BRD4 (0.39) ESR1ESR2MAOAMAOBBRD4
SCHEMBL19681534 0.86 BRD4 (0.39) MAOAMAOBBRD4ALOX5APFEN1
SCHEMBL17997247 0.86 PTGDR2 (0.36) MAOAMAOBBRD4ALOX5APFEN1
SCHEMBL17997229 0.86 PTGDR2 (0.36) MAOAMAOBBRD4ALOX5APFEN1
SCHEMBL17997225 0.84 PTGDR2 (0.35) MAOAMAOBBRD4ALOX5APFEN1
SCHEMBL17997252 0.83 MAOA (0.34) MAOAMAOBBRD4ALOX5APFEN1
SCHEMBL17997221 0.83 MAOA (0.34) MAOAMAOBBRD4ALOX5APFEN1
SCHEMBL5100185 0.82 ESR1 (0.44) ESR1ESR2
SCHEMBL17997283 0.81 PTGDR2 (0.35) ESR1ESR2BRD4HTR2AHTR2C
SCHEMBL17997234 0.81 HTR4 (0.33) MAOAMAOBBRD4ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472570-B2 Highly vertical dielectric liquid crystal compound, liquid crystal composition, and liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-11-12 US disclosed
US-20180119012-A1 HIGHLY VERTICAL DIELECTRIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2018-05-03 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 (2 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-20180119012-A1 HIGHLY VERTICAL DIELECTRIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCNB1, FLNB, CXCR1 ESR1 1521/4885ESR2 1305/4885MAOA 3237/4885
US-10472570-B2 Highly vertical dielectric liquid crystal compound, liquid crystal composition, and liquid crystal display device CCNB1, FLNB, CXCR1 ESR1 1521/4885ESR2 1305/4885MAOA 3237/4885

“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.