SCHEMBL3820403

SCHEMBL3820403

CC[C@@H](C)c1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL111291 1.00 TSHR (0.59) TSHRALDH1A1ALOX15USP2GAA
SCHEMBL22156385 0.84 TSHR (0.42) TSHRALDH1A1ALOX15USP2GAA
SCHEMBL994607 0.83 TSHR (0.73) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL4555367 0.83 ALDH1A1 (0.41) TSHRALDH1A1ALOX15USP2GAA
SCHEMBL7868990 0.82 TAAR1 (0.52) TSHRALDH1A1ALOX15CYP3A4CASP1
SCHEMBL2476981 0.81 TSHR (0.48) TSHRALDH1A1ALOX15USP2GAA
SCHEMBL3766807 0.81 TSHR (0.40) TSHRALDH1A1ALOX15USP2GAA
SCHEMBL708994 0.80 ALDH1A1 (0.38) TSHRALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL10589371 0.80 TSHR (0.38) TSHRALDH1A1ALOX15CYP3A4CASP1
SCHEMBL8573119 0.80 TSHR (0.42) TSHRALDH1A1ALOX15HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987332-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS Kaneka Corporation (JP) 2000-03-22 EP claimed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
EP-0987332-B1 DNA encoding a polypeptide having stereoselective transaminase activity, and transformants comprising said DNA KANEKA CORP (JP) 2009-08-19 EP disclosed
US-7169592-B2 Producing optically active amino compounds KANEKA CORPORATION (JP) 2007-01-30 US disclosed
US-20020192786-A1 Producing optically active amino compounds KANEKA CORPORATION 2002-12-19 US disclosed
EP-0987332-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS Kaneka Corporation (JP) 2000-03-22 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-20020192786-A1 Producing optically active amino compounds TKT, GOT1, AADAT TSHR 1107/4885ALDH1A1 151/4885ALOX15 2382/4885

“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.