SCHEMBL4800443

SCHEMBL4800443

CC(C)COC(=O)C1CC2CCCCC2N1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HTR2C P28335 1/20 0.45
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
FKBP1A P62942 3/20 0.43
AGTR2 P50052 1/20 0.42
PREP P48147 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACE2 Q9BYF1 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
SCHEMBL4798899 0.89 ACE (0.48) ACEMEN1KMT2AUSP2LMNA
SCHEMBL4800605 0.89 CACNA1B (0.45) ACEMEN1KMT2AUSP2LMNA
SCHEMBL4796474 0.88 ACE (0.51) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9878033 0.88 FKBP1A (0.49) ACEMEN1KMT2AHTR2CCYP3A4
SCHEMBL9877388 0.88 FKBP1A (0.49) ACEMEN1KMT2AHTR2CCYP3A4
SCHEMBL4798767 0.87 FKBP1A (0.49) ACEMEN1KMT2AUSP2LMNA
SCHEMBL4798886 0.86 HTR2A (0.39)
SCHEMBL4797492 0.86 HTR2C (0.46) ACEMEN1KMT2AUSP2LMNA
SCHEMBL4800041 0.85 ACE (0.47) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9877415 0.84 HTR2C (0.48) ACEMEN1KMT2AUSP2LMNA

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 ACE 1148/4885MEN1 1912/4885KMT2A 1707/4885

“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.