SCHEMBL13701366

SCHEMBL13701366

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nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.62
HMGCR P04035 1/20 0.62
CHRM1 P11229 1/20 0.62
TBXA2R P21731 1/20 0.62
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CPT2 P23786 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
CA2 P00918 1/20 0.33
ACLY P53396 1/20 0.32
ACHE P22303 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 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
SCHEMBL13701363 0.83 ALDH1A1 (0.46) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL30476304 0.81 CYP2C19 (0.45) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL8221292 0.80 CYP2C19 (0.46) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
Meglutol SCHEMBL8718194 0.79 HMGCR (1.00) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
Meglutol SCHEMBL28443 0.79 HMGCR (1.00) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL3894338 0.78 CYP2C19 (0.45) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL10192956 0.76 HMGCR (0.71) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL28715378 0.76 HMGCR (0.64) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
T-Butylacetic Acid SCHEMBL11723391 0.76 ADRA1A (0.44) ADRA1AHMGCRCHRM1TBXA2RCYP2C19
SCHEMBL17037299 0.74 HMGCR (0.68) ADRA1AHMGCRCHRM1TBXA2RCYP2C19

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-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 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-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING NCS1, PRSS12, TPX2 ADRA1A 4581/4885HMGCR 2567/4885CHRM1 4652/4885

“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.