SCHEMBL1014307

SCHEMBL1014307

CCOc1ccc(OCC2CCC(=COC)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
KDM1A O60341 2/20 0.33
SGPL1 O95470 1/20 0.32
S1PR1 P21453 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDE4B Q07343 4/20 0.32
TUBB1 Q9H4B7 1/20 0.32
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 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
SCHEMBL14391040 0.84 RIPK1 (0.36) HTR2CHTR2AHTR2BRIPK1
SCHEMBL12366338 0.83 ALDH1A1 (0.35) HTR2CHTR2AHTR2BRIPK1
SCHEMBL1243195 0.82 HTR2A (0.33) HTR2CHTR2AHTR2BKDM1ATUBB1
SCHEMBL1013919 0.80 PDE4B (0.37) HTR2CHTR2AHTR2BKDM1ARIPK1
SCHEMBL11894899 0.78 KDM1A (0.30) KDM1A
SCHEMBL2511031 0.78 FPR2 (0.35) HTR2AKDM1AS1PR1
SCHEMBL19189465 0.78 HTR2A (0.39) HTR2CHTR2AHTR2BKDM1ARIPK1
SCHEMBL1500529 0.77 SLC6A4 (0.43)
SCHEMBL15445798 0.77 RIPK1 (0.41) HTR2CHTR2AHTR2BKDM1ARIPK1
SCHEMBL22269638 0.77 FFAR4 (0.40)

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 4 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
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

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.