SCHEMBL14031838

SCHEMBL14031838

COC(=O)C(C=O)Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14542192 0.80 GAA (0.48) ALDH1A1LMNANPSR1KMT2AATM
SCHEMBL14031813 0.74 ESR1 (0.44) ALDH1A1KMT2AATMSMN1; SMN2
SCHEMBL13879329 0.74 DPP4 (0.40) ALDH1A1KMT2AGAA
SCHEMBL27559373 0.73 KMT2A (0.38) ALDH1A1KMT2AATMGAASMN1; SMN2
SCHEMBL13879233 0.73 ALDH1A1 (0.37) ALDH1A1KMT2AATMGAASMN1; SMN2
SCHEMBL27559390 0.73 SLC7A5 (0.50) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL14542190 0.72 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AGAAKDM4E
SCHEMBL3184772 0.72 POLB (0.51) ALDH1A1LMNAMAPTKMT2AATM
SCHEMBL3936988 0.72 LMNA (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL30921159 0.70 ALDH1A1 (0.41) ALDH1A1LMNAMAPT

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-20080241896-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE HYDROXYMETHYL-SUBSTITUTED PHENYLALANINE AJINOMOTO CO., INC. (JP) 2008-10-02 — — 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-20080241896-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE HYDROXYMETHYL-SUBSTITUTED PHENYLALANINE PAH, HPD, DAO ALDH1A1 681/4885LMNA 3397/4885MAPT 4160/4885

“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.

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