SCHEMBL4796044

SCHEMBL4796044

COc1ccc(COC(=O)N2C(C(=O)OC(C)(C)C)CC3CCCCC32)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CACNA1B Q00975 1/20 0.44
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
FKBP1A P62942 2/20 0.39
GRIN2B Q13224 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
P2RX4 Q99571 1/20 0.38
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL4798929 0.89 CYP3A4 (0.53) CYP3A4GRIN2BSMN1; SMN2PKMHTT
SCHEMBL4802058 0.89 HTR2C (0.46) CYP3A4FKBP1ASMN1; SMN2CASP1NPC1
SCHEMBL4799220 0.88 CYP3A4 (0.44) CYP3A4FKBP1AGRIN2BSMN1; SMN2PKM
SCHEMBL5166408 0.87 CYP3A4 (0.44) CYP3A4CACNA1BGRIN2BSMN1; SMN2PKM
SCHEMBL4798199 0.86 ACE (0.46) CYP3A4GRIN2BSMN1; SMN2PKMHTT
SCHEMBL4799891 0.86 CYP3A4 (0.43) CYP3A4FKBP1AGRIN2BSMN1; SMN2PKM
SCHEMBL4798953 0.85 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4796575 0.85 FKBP1A (0.44) CYP3A4FKBP1AGRIN2BSMN1; SMN2PKM
SCHEMBL4800605 0.85 CACNA1B (0.45) CYP3A4CACNA1BFKBP1AGRIN2BSMN1; SMN2
SCHEMBL4801033 0.83 CYP3A4 (0.41) CYP3A4CACNA1BGRIN2BSMN1; SMN2PKM

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 CYP3A4 365/4885CACNA1B 3640/4885BCL9 4759/4885

“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.