SCHEMBL12759157

SCHEMBL12759157

CCCCOc1ccc(OCC2CCC(C3CCC(CC)CO3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.33
HTR2A P28223 3/20 0.33
HTR2B P41595 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LRRK2 Q5S007 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL12759199 0.95 SMN1; SMN2 (0.32) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL12759149 0.94 HTR2C (0.33) HTR2CHTR2AHTR2BLRRK2
SCHEMBL12759159 0.92 HTR2A (0.32) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL12759158 0.92 HTR2A (0.32) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL12759160 0.91 HTR2A (0.32) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL12759143 0.91 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL12759202 0.90 SMN1; SMN2 (0.31) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL12759205 0.90 SMN1; SMN2 (0.31) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL12759187 0.90 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL12759206 0.89 SMN1; SMN2 (0.31) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 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-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, CCDC22 HTR2C 657/4885HTR2A 1041/4885HTR2B 2435/4885

“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.