SCHEMBL4796393

SCHEMBL4796393

CCCOC(=O)C1CC2CCCCC2N1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4794962 0.94 EPHX1 (0.41) ALDH1A1MAPTHPGDTDP1EPHX1
SCHEMBL4797586 0.92 MAPT (0.46) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL4799988 0.89 MAPT (0.42) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL4798886 0.88 HTR2A (0.39) ALDH1A1MAPTHPGDTDP1EPHX1
SCHEMBL4802608 0.87 HTR2A (0.43) ALDH1A1MAPTHPGDTDP1EPHX1
SCHEMBL4798953 0.86 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1EPHX1
SCHEMBL4796498 0.86 HTR2A (0.38) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL4797492 0.86 HTR2C (0.46) MEN1KMT2ASIGMAR1
SCHEMBL4798213 0.86 TDP1 (0.41) TDP1MEN1KMT2AEPHX1ATM
SCHEMBL4799891 0.85 CYP3A4 (0.43)

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-7439036-B2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
EP-1536017-B1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2007-04-18 EP disclosed
EP-1536017-A2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2005-06-01 EP disclosed
US-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-19 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-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid IDO1, IDO2, APEH ALDH1A1 148/4885MAPT 4491/4885HPGD 924/4885

“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.