SCHEMBL21870867

SCHEMBL21870867

CCC[C@@H](c1c(C)[nH]c2ccccc12)[C@H](N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
VDR P11473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
PABPC1 P11940 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
KDM1A O60341 1/20 0.40
ATM Q13315 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
SCHEMBL20556016 1.00 MAPT (0.45) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL27257001 0.93 MAPT (0.43) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL21870870 0.90 MAPT (0.47) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL20556024 0.90 MAPT (0.47) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL20555800 0.80 VDR (0.51) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL31000598 0.80 VDR (0.51) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL18135258 0.80 VDR (0.51) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL20551986 0.75 GPR84 (0.61) MAPTKDM4EGAASMN1; SMN2KMT2A
SCHEMBL31000506 0.75 GPR84 (0.61) MAPTKDM4EGAASMN1; SMN2KMT2A
SCHEMBL21870762 0.75 GPR84 (0.61) MAPTKDM4EGAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-02 US disclosed
US-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-07-02 US disclosed
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-10-29 US disclosed
US-10612056-B2 Beta-substituted non-canonical amino acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-04-07 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 (3 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-12024731-B2 Methods and enzyme catalysts for the synthesis of non-canonical amino acids AANAT, AADAT, TPH1 MAPT 2576/4885ALDH1A1 944/4885KDM4E 2762/4885
US-20200340024-A1 METHODS AND ENZYME CATALYSTS FOR THE SYNTHESIS OF NON-CANONICAL AMINO ACIDS AANAT, AADAT, TPH1 MAPT 2576/4885ALDH1A1 944/4885KDM4E 2762/4885
US-10612056-B2 Beta-substituted non-canonical amino acids AANAT, TPH1, AADAT MAPT 2234/4885ALDH1A1 1216/4885KDM4E 3724/4885

“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.