SCHEMBL12736617

SCHEMBL12736617

C=CCOc1ccc(C2CCC(OCc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.35
HTR2B P41595 7/20 0.35
HTR2A P28223 8/20 0.34
HTR1A P08908 3/20 0.31
ADRB2 P07550 2/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR7 P34969 2/20 0.31
DRD3 P35462 2/20 0.31
HTR6 P50406 2/20 0.31
KCNH2 Q12809 2/20 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
SCHEMBL12740219 1.00 HTR2C (0.35) HTR2CHTR2BHTR2AHTR1AADRB2
SCHEMBL14766062 0.92 HTR2C (0.36) HTR2CHTR2BHTR2AHTR1AADRB2
SCHEMBL14766814 0.92 HTR2C (0.36) HTR2CHTR2BHTR2AHTR1AADRB2
SCHEMBL10302591 0.90 HTR2C (0.35) HTR2CHTR2BHTR2AHTR1AADRB2
SCHEMBL12736648 0.90 HTR2C (0.33) HTR2CHTR2BHTR2AHTR1AADRB2
SCHEMBL12736619 0.89 KDM4E (0.33) HTR1A
SCHEMBL12736618 0.89 KDM4E (0.31) HTR1A
SCHEMBL12740221 0.89 KDM4E (0.33) HTR1A
SCHEMBL12740220 0.89 KDM4E (0.31) HTR1A
SCHEMBL172389 0.89 HTR2C (0.42) HTR2CHTR2BHTR2AHTR1AADRB2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HTR2C 253/4885HTR2B 932/4885HTR2A 841/4885

“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.