SCHEMBL12999944

SCHEMBL12999944

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(C)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.34
HTR2B P41595 6/20 0.34
HTR2A P28223 7/20 0.32
ADRB2 P07550 2/20 0.32
HTR1A P08908 2/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2A P08913 2/20 0.32
DRD2 P14416 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
DRD4 P21917 2/20 0.32
HRH2 P25021 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR7 P34969 2/20 0.32
DRD3 P35462 2/20 0.32
HTR6 P50406 2/20 0.32
KCNH2 Q12809 2/20 0.32
KDM1A O60341 2/20 0.31
GYS1 P13807 1/20 0.31
PDE4A P27815 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
SCHEMBL8940198 0.89 HTR2C (0.33) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL13263063 0.89 KDM1A (0.32) KDM1A
SCHEMBL12999914 0.87 KDM1A (0.33) HTR2AKDM1A
SCHEMBL8948476 0.87 HTR2C (0.36) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8939698 0.87 FASN (0.33) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8940270 0.87 HTR2C (0.32) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8940651 0.86 HTR2C (0.31) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8942077 0.86 HTR2C (0.34) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL8939790 0.85 HTR2C (0.31) HTR2CHTR2BHTR2AKDM1A
SCHEMBL12999943 0.85 KDM1A (0.34) HTR2CSLC6A4KDM1A

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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 HTR2C 447/4885HTR2B 1261/4885HTR2A 1638/4885

“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.