SCHEMBL10072014

SCHEMBL10072014

OC1CCC(c2cc(F)c(C3CCC(C4CCC(c5ccc(F)c(F)c5)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.42
USP5 P45974 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADRA1A P35348 1/20 0.34
SCD5 Q86SK9 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PDK2 Q15119 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KDM1A O60341 2/20 0.31
MAOB P27338 1/20 0.31
CCR2 P41597 1/20 0.31
HCRTR2 O43614 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
SCHEMBL8623570 0.92 ESR2 (0.48) ESR2USP5HDAC6ADRA1ASCD5
SCHEMBL8623573 0.92 ESR2 (0.48) ESR2USP5HDAC6ADRA1ASCD5
SCHEMBL8623567 0.92 ESR2 (0.48) ESR2USP5HDAC6ADRA1ASCD5
SCHEMBL14817246 0.87 ESR2 (0.53) ESR2USP5HDAC6ADRA1ASCD5
SCHEMBL10043342 0.86 ABCB1 (0.38) USP5HDAC6HTR2AHTR2CHTR2B
SCHEMBL10043343 0.85 ESR2 (0.41) ESR2USP5HDAC6ADRA1AHTR2A
SCHEMBL10071807 0.85 ESR2 (0.42) ESR2USP5HDAC6ADRA1ASCD5
SCHEMBL10072200 0.85 ESR2 (0.42) ESR2USP5HDAC6ADRA1ASCD5
SCHEMBL12975733 0.85 ESR2 (0.41) ESR2USP5HDAC6ADRA1AHTR2A
SCHEMBL17827776 0.83 HTR2A (0.42) USP5HDAC6SCD5HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 ESR2 2435/4885USP5 2406/4885HDAC6 3966/4885

“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.