SCHEMBL12759123

SCHEMBL12759123

CCCOc1ccc(OCC2CCC(C3CCC(CCC)OC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
HTR2A P28223 3/20 0.33
RIPK1 Q13546 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
KCNH2 Q12809 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
SCHEMBL12759124 0.94 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL12759130 0.94 SMN1; SMN2 (0.35) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759125 0.93 EPHX1 (0.33) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759122 0.93 HTR2C (0.33) HTR2CHTR2BHTR2ARIPK1ALDH1A1
SCHEMBL1013572 0.93 HTR2A (0.34) HTR2CHTR2BHTR2ARIPK1ALDH1A1
SCHEMBL12760074 0.93 HTR2A (0.34) HTR2CHTR2BHTR2ARIPK1ALDH1A1
SCHEMBL12760234 0.93 HTR2A (0.34) HTR2CHTR2BHTR2ARIPK1ALDH1A1
SCHEMBL12759239 0.92 KCNH2 (0.33) HTR2CHTR2BHTR2AALDH1A1GLA
SCHEMBL12759131 0.91 SMN1; SMN2 (0.34) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL12759112 0.91 PDE4B (0.35) HTR2CHTR2BHTR2A

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 657/4885HTR2B 2435/4885HTR2A 1041/4885

“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.