SCHEMBL14315896

SCHEMBL14315896

CC(C)(CCC1CCC(C(=O)O)C1)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ VCP P55072 8/20 0.35
▸ S1PR5 Q9H228 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL18362873 0.84 VCP (0.40) VCPALDH1A1GLA
SCHEMBL10280031 0.83 CHRM3 (0.33) CHRM3
SCHEMBL12670478 0.82 CHRM3 (0.36) CHRM3
SCHEMBL19575551 0.81 CHRM3 (0.34) CHRM3
SCHEMBL16480089 0.80 HTT (0.35) —
SCHEMBL14852901 0.80 CHRM3 (0.33) CHRM3
SCHEMBL12067752 0.80 CHRM3 (0.33) CHRM3
SCHEMBL14852900 0.78 DRD2 (0.43) CHRM3
SCHEMBL16503556 0.78 DRD2 (0.43) CHRM3
SCHEMBL13635193 0.78 CHRM3 (0.33) CHRM3

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-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2012-12-20 — — 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-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 AKR1C3 3159/4885AKR1C1 2961/4885VCP 3615/4885

“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.

Send feedback