SCHEMBL21389641

SCHEMBL21389641

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.43
DRD2 P14416 2/20 0.43
CHRNA7 P36544 2/20 0.42
ROCK2 O75116 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
THRB P10828 1/20 0.41
KDM2B Q8NHM5 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIPK1 Q13546 1/20 0.40
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL18510351 0.79 FKBP1A (0.52) ADAM17ROCK2RIPK1SCD5
SCHEMBL19151688 0.77 ADAM17 (0.54) ADAM17DRD2ROCK2OPRM1OPRK1
SCHEMBL24775502 0.77 DRD2 (0.50) DRD2CHRNA7THRBKDM4EALDH1A1
SCHEMBL7201896 0.73 CHRNA1 (0.47) ADAM17CHRNA7ROCK2KDM4EALDH1A1
SCHEMBL19275752 0.73 THRB (0.56) DRD2CHRNA7OPRM1OPRK1THRB
SCHEMBL23449208 0.73 KDM4E (0.47) DRD2CHRNA7ROCK2THRBKDM4E
SCHEMBL28168304 0.72 ROCK2 (0.56) ADAM17DRD2ROCK2OPRM1OPRK1
SCHEMBL18520901 0.71 ROCK2 (0.45) ADAM17DRD2ROCK2OPRM1OPRK1
SCHEMBL13162095 0.70 CHRNB4 (0.62) DRD2CHRNA7ALDH1A1LMNA
SCHEMBL21392838 0.70 ROCK2 (0.52) ADAM17ROCK2OPRM1OPRK1KDM4E

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-20190290612-A1 METHODS FOR TREATING PULMONARY FIBROSIS DAVID WEINSTEIN CONSULTING INC (US) 2019-09-26 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-20190290612-A1 METHODS FOR TREATING PULMONARY FIBROSIS FKBP4, FKBP1B, FKBP3 ADAM17 2376/4885DRD2 4881/4885CHRNA7 3575/4885

“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.