SCHEMBL16190249

SCHEMBL16190249

CC(C)Cc1ccc(C(C)C(=O)NCCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.64
APP P05067 1/20 0.64
BCHE P06276 1/20 0.64
ACHE P22303 1/20 0.64
CHRM1 P11229 1/20 0.63
PDE4A P27815 1/20 0.63
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 3/20 0.60
CA9 Q16790 3/20 0.60
CXCR1 P25024 3/20 0.58
CXCR2 P25025 3/20 0.58

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
SCHEMBL15206243 0.96 TRPV1 (0.62) TRPV1APPBCHEACHECHRM1
Mabuprofen SCHEMBL51633 0.91 CHRM1 (0.67) TRPV1APPBCHEACHECHRM1
SCHEMBL4431747 0.87 APP (0.63) TRPV1APPBCHEACHECHRM1
SCHEMBL3817985 0.87 APP (0.63) TRPV1APPBCHEACHECHRM1
SCHEMBL13254990 0.87 TRPV1 (0.64) TRPV1APPBCHEACHECHRM1
SCHEMBL14069293 0.87 TRPV1 (0.64) TRPV1APPBCHEACHECHRM1
SCHEMBL13361030 0.87 TRPV1 (0.62) TRPV1APPBCHEACHECHRM1
SCHEMBL31119849 0.87 TRPV1 (0.66) TRPV1APPBCHEACHECHRM1
Hydrochloric Acid SCHEMBL4743230 0.86 APP (0.62) TRPV1APPBCHEACHECHRM1
Hydrochloric Acid SCHEMBL4743234 0.86 APP (0.62) TRPV1APPBCHEACHECHRM1

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-20140315834-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF MEDICON PHARMACEUTICALS, INC. (US) 2014-10-23 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-20140315834-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF HMGB1, PTGES, FDPS TRPV1 23/4885APP 588/4885BCHE 3628/4885

“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.