SCHEMBL18520901

SCHEMBL18520901

CCC(C)(C)COCC(=O)N1CCCC1c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.45
RIPK1 Q13546 2/20 0.44
ADAM17 P78536 1/20 0.44
SCD5 Q86SK9 2/20 0.44
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.42
HCRTR2 O43614 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
SCHEMBL21392838 0.80 ROCK2 (0.52) ROCK2ADAM17SCD5OPRM1OPRK1
SCHEMBL18510351 0.79 FKBP1A (0.52) ROCK2RIPK1ADAM17SCD5
SCHEMBL28168304 0.78 ROCK2 (0.56) ROCK2RIPK1ADAM17SCD5OPRM1
SCHEMBL19151688 0.78 ADAM17 (0.54) ROCK2RIPK1ADAM17SCD5OPRM1
SCHEMBL8542566 0.73 ROCK2 (0.62) ROCK2SCD5HSD17B10
SCHEMBL19275752 0.72 THRB (0.56) OPRM1OPRK1DRD2
SCHEMBL21389641 0.71 ADAM17 (0.43) ROCK2RIPK1ADAM17SCD5OPRM1
Acetic Acid SCHEMBL27572445 0.71 ROCK2 (0.47) ROCK2RIPK1ADAM17SCD5HSD17B10
SCHEMBL14611018 0.69 NPC1 (0.45) ROCK2RIPK1HCRTR2
SCHEMBL28056141 0.69 PPID (0.74) ROCK2OPRM1OPRK1

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-20170042859-A1 COMPOSITIONS AND METHODS FOR TREATING ALOPECIA DAVID WEINSTEIN CONSULTING, INC. 2017-02-16 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-20170042859-A1 COMPOSITIONS AND METHODS FOR TREATING ALOPECIA S100A4, FKBP4, FKBP5 ROCK2 2053/4885RIPK1 2210/4885ADAM17 2223/4885

“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.