SCHEMBL18989461

SCHEMBL18989461

CC(C)(C)OC(=O)NCC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CYP26A1 O43174 1/20 0.45
SLC6A9 P48067 1/20 0.44
ITGB3 P05106 4/20 0.44
ITGA2B P08514 3/20 0.44
SYK P43405 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ITGAV P06756 2/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
POLB P06746 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41

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
SCHEMBL18989460 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CTSSCTSKCYP26A1SLC6A9
SCHEMBL6762061 0.93 ITGB3 (0.51) SMN1; SMN2CTSSCTSKITGB3ITGA2B
SCHEMBL19020179 0.88 RIPK1 (0.52) CTSSCTSKSLC6A9SYKMAPT
SCHEMBL21350190 0.88 RIPK1 (0.52) CTSSCTSKSLC6A9SYKMAPT
SCHEMBL21350185 0.87 SYK (0.44) SMN1; SMN2CTSSCTSKSLC6A9SYK
SCHEMBL3834572 0.87 SYK (0.44) SMN1; SMN2CTSSCTSKSLC6A9SYK
SCHEMBL348500 0.86 CTSK (0.54) SMN1; SMN2CTSSCTSKCYP26A1MAPT
SCHEMBL348499 0.86 CTSK (0.54) SMN1; SMN2CTSSCTSKCYP26A1MAPT
SCHEMBL46367 0.86 CTSK (0.54) SMN1; SMN2CTSSCTSKCYP26A1MAPT
SCHEMBL15456591 0.84 ITGB3 (0.41) CTSSCTSKCYP26A1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY 2019-09-12 US disclosed
EP-3390352-A1 SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-10-24 EP disclosed
CN-108368035-A SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS 宝洁公司 2018-08-03 CN disclosed
WO-2017106279-A1 SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-06-22 WO 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-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, TAS2R8, TRPA1 SMN1; SMN2 2621/4885CTSS 1037/4885CTSK 1573/4885

“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.