SCHEMBL21838679

SCHEMBL21838679

CCOC(=O)[C@@]1(CC)CC=CC[C@]1(CC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
OPRM1 P35372 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL10118793 0.79 ALDH1A1 (0.37) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL12751319 0.78 BRD4 (0.45) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL609526 0.78 ALDH1A1 (0.40) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL28402515 0.77 SOAT1 (0.41) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL30142960 0.77 SOAT1 (0.41) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL7136776 0.75 ALOX15 (0.39) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL4740340 0.73 ALDH1A1 (0.39) SOAT1ALDH1A1POLBOPRM1SMN1; SMN2
SCHEMBL16065515 0.73 OPRM1 (0.38) ALDH1A1POLBOPRM1SMN1; SMN2LMNA
SCHEMBL21950889 0.73 FFAR3 (0.31)
SCHEMBL21950888 0.73 FFAR3 (0.31)

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SOAT1 2629/4885ALDH1A1 2867/4885POLB 4679/4885

“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.