SCHEMBL18317885

SCHEMBL18317885

CC(C)CC=Cc1cccc(C(C)CC=O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.39
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ GRIK1 P39086 2/20 0.34
▸ GRIK2 Q13002 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ EPOR P19235 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
SCHEMBL18317884 1.00 HTR2A (0.39) HTR2AHDAC4HDAC2HDAC8GRIK1
SCHEMBL16334647 0.83 HDAC4 (0.36) HDAC4HDAC2HDAC8CHRM2CHRM1
SCHEMBL16334648 0.83 HDAC4 (0.36) HDAC4HDAC2HDAC8CHRM2CHRM1
SCHEMBL27796753 0.82 ALDH1A1 (0.41) HDAC4HDAC2HDAC8
SCHEMBL6714738 0.82 HTR2A (0.44) HTR2AHDAC4HDAC2HDAC8GRIK1
SCHEMBL6660329 0.82 HTR2A (0.44) HTR2AHDAC4HDAC2HDAC8GRIK1
SCHEMBL9580067 0.80 HDAC4 (0.42) HDAC4HDAC2HDAC8
SCHEMBL16335221 0.78 MAOB (0.36) HDAC4HDAC2HDAC8
SCHEMBL16335220 0.78 MAOB (0.36) HDAC4HDAC2HDAC8
SCHEMBL180401 0.75 HDAC4 (0.43) HDAC4HDAC2HDAC8

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
EP-3013782-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-10-03 — — EP disclosed
US-9708570-B2 Organic compounds Givaudan, S.A. (CH) 2017-07-18 — — US disclosed
US-20160369205-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-12-22 — — 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-20160369205-A1 ORGANIC COMPOUNDS PAH, AQP3, HPD HTR2A 1099/4885HDAC4 1513/4885HDAC2 1953/4885

“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.

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