SCHEMBL3380118

SCHEMBL3380118

CN(C)C(C)(C)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.38
FFAR3 O14843 1/20 0.33
PHF8 Q9UPP1 3/20 0.32
KDM2A Q9Y2K7 3/20 0.32
ACLY P53396 2/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL17772995 0.77 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL4669160 0.76 KDM4E (0.31) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL17772996 0.76 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL10881294 0.76 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL15463492 0.75 TET2 (0.54) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL22383975 0.75 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9660687 0.74 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28338424 0.74 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL4247087 0.74 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL17773058 0.74 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
WO-2016081522-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2016-05-26 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-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B HMGCR 2839/4885CHRM1 4672/4885TBXA2R 3997/4885

“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.