SCHEMBL21049517

SCHEMBL21049517

COC1(OC)CCC(NC(=O)Cc2c(C)cc(Cl)cc2C)(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.42
SHMT2 P34897 2/20 0.42
FABP4 P15090 4/20 0.36
FABP5 Q01469 2/20 0.36
P2RX7 Q99572 7/20 0.34
LPAR1 Q92633 3/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERAP1 Q9NZ08 1/20 0.32

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
SCHEMBL21082997 0.91 ANO1 (0.35) SHMT1SHMT2P2RX7MEN1ALDH1A1
SCHEMBL19838164 0.82 SHMT1 (0.41) SHMT1SHMT2FABP4FABP5P2RX7
SCHEMBL19838161 0.81 SHMT1 (0.41) SHMT1SHMT2FABP4FABP5P2RX7
SCHEMBL7958051 0.77 ALDH1A1 (0.39) SHMT1SHMT2LPAR1ALDH1A1
SCHEMBL19838513 0.77 P2RX7 (0.35) SHMT1SHMT2P2RX7MEN1ALDH1A1
SCHEMBL12738955 0.76 ANO1 (0.37) SHMT1SHMT2P2RX7ALDH1A1GAA
SCHEMBL23326474 0.76 SHMT1 (0.37) SHMT1SHMT2FABP4FABP5P2RX7
SCHEMBL21469463 0.76 MAPK1 (0.32) SHMT1SHMT2P2RX7
SCHEMBL7949624 0.76 LPAR1 (0.39) SHMT1SHMT2LPAR1ALDH1A1
SCHEMBL7960775 0.76 LPAR1 (0.39) SHMT1SHMT2LPAR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294539-A1 PROCESS FOR PREPARING SUBSTITUTED CYCLOHEXANE AMINO ACID ESTERS AND SPIROKETAL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER AKTIENGESELLSCHAFT (DE) 2024-09-05 US disclosed
EP-3494109-A1 METHOD FOR PRODUCING SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience Aktiengesellschaft (DE) 2019-06-12 EP 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-20240294539-A1 PROCESS FOR PREPARING SUBSTITUTED CYCLOHEXANE AMINO ACID ESTERS AND SPIROKETAL-SUBSTITUTED CYCLIC KETO-ENOLS BCAT1, BCAT2, BCKDK SHMT1 1468/4885SHMT2 1983/4885FABP4 3070/4885

“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.