SCHEMBL13235013

SCHEMBL13235013

Cc1cccc(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 3/20 0.33
CYP2D6 P10635 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HTR2C P28335 2/20 0.33
PARP14 Q460N5 1/20 0.32
P2RX7 Q99572 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PDE9A O76083 1/20 0.31
CCR3 P51677 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCQ Q04759 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
SCHEMBL8932340 1.00 ACHE (0.41) ACHESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL8932347 0.95 ACHE (0.44) ACHESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL8932348 0.90 ACHE (0.41) ACHESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL16191112 0.81 ACHE (0.54) ACHESLC6A4SLC6A2CYP2D6CCR3
SCHEMBL13235012 0.79 MEN1 (0.39) ACHEMEN1KMT2A
SCHEMBL13377967 0.79 CEL (0.40) ACHENPC1RAB9A
SCHEMBL739156 0.77
SCHEMBL3969439 0.77 HTR2C (0.53) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL2093810 0.77 SLC6A4 (0.35) ACHESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL19887750 0.73 ACHE (0.30) ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 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-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 ACHE 1798/4885SLC6A4 3588/4885SLC6A2 3238/4885

“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.