SCHEMBL12759238

SCHEMBL12759238

CCCCC1CCC(C2CCC(COc3ccc(OCCC)c(F)c3F)OC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
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
SCHEMBL12759236 0.97 ALDH1A1 (0.32) HTR2CHTR2BHTR2AALDH1A1GLA
SCHEMBL12759249 0.97 SMN1; SMN2 (0.34) HTR2CALDH1A1GLASMN1; SMN2KCNH2
SCHEMBL12759251 0.94 SMN1; SMN2 (0.33) HTR2CALDH1A1GLASMN1; SMN2KCNH2
SCHEMBL12759227 0.93 HRH3 (0.35) HTR2BHTR2AALDH1A1GLA
SCHEMBL12759239 0.93 KCNH2 (0.33) HTR2CHTR2BHTR2AALDH1A1GLA
SCHEMBL12759246 0.92 SMN1; SMN2 (0.34) HTR2CALDH1A1GLASMN1; SMN2KCNH2
SCHEMBL12759215 0.91 SLC6A2 (0.32) ALDH1A1GLAKCNH2
SCHEMBL12759124 0.91 HTR2C (0.32) HTR2CHTR2BHTR2ASMN1; SMN2
SCHEMBL12759230 0.90 HRH3 (0.34) HTR2BHTR2AALDH1A1GLA
SCHEMBL12759235 0.90 HTR2B (0.33) HTR2CHTR2BHTR2AALDH1A1GLA

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.