SCHEMBL4886658

SCHEMBL4886658

Cc1[c]c(C2CCCC2)ccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL1776322 0.98 CEL (0.33) CELHDAC4HDAC2HDAC8CASP3
SCHEMBL455221 0.91
SCHEMBL21777712 0.84 CEL (0.36) CELHDAC4HDAC2HDAC8CASP3
SCHEMBL1777152 0.82 CEL (0.38) CELHDAC4HDAC2HDAC8CASP3
SCHEMBL17710524 0.80 CEL (0.32) CELHDAC4HDAC2HDAC8KMO
SCHEMBL1778508 0.75 CEL (0.32) CELKMO
SCHEMBL1776833 0.75 PTPN1 (0.34) CELKMO
SCHEMBL16752251 0.74 AKR1C3 (0.31)
SCHEMBL1777508 0.73 HTR1A (0.31) CELKMO
SCHEMBL1776893 0.71 EPHX2 (0.37)

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-20080306310-A1 AVOIDANCE OF SOLIDS DEPOSITS IN DROPLET SEPARATORS BY METERING IN SUITABLE LIQUIDS BAYER MATERIALSCIENCE AG (DE) 2008-12-11 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-20080306310-A1 AVOIDANCE OF SOLIDS DEPOSITS IN DROPLET SEPARATORS BY METERING IN SUITABLE LIQUIDS HMGCR, LIPA, SCD CEL 40/4885HDAC4 3093/4885HDAC2 3443/4885

“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.