SCHEMBL21119360

SCHEMBL21119360

COC(=O)[C@@](C)(C=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C2 P08235 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
PPARA Q07869 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 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
SCHEMBL21119416 0.86 POLB (0.44) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL21119368 0.86 POLB (0.44) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL20557136 0.79 MEN1 (0.48) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL1978095 0.79 POLB (0.50) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL6825088 0.79 POLB (0.50) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL20557138 0.79 MEN1 (0.48) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL2126365 0.78 POLB (0.49) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL11465411 0.78 KMT2A (0.52) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL9329473 0.78 POLB (0.49) POLBMEN1KMT2AGRIN2DGRIN3B
SCHEMBL11843768 0.77 MEN1 (0.49) POLBMEN1KMT2AGRIN2DGRIN3B

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-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-02 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-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids ELOVL5, FASN, ACSL5 POLB 854/4885MEN1 3193/4885KMT2A 3667/4885

“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.