SCHEMBL4801033

SCHEMBL4801033

CCC(C)OC(=O)C1CC2CCCCC2N1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ACE P12821 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.36
P2RX4 Q99571 1/20 0.36
ALOX15 P16050 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
SCHEMBL5166408 0.92 CYP3A4 (0.44) CYP3A4ACEMEN1KMT2AUSP2
SCHEMBL4800041 0.89 ACE (0.47) CYP3A4ACEMEN1KMT2AUSP2
SCHEMBL4799220 0.87 CYP3A4 (0.44) CYP3A4ACEMEN1KMT2AUSP2
SCHEMBL4798929 0.87 CYP3A4 (0.53) CYP3A4KMT2AGRIN2BSMN1; SMN2PKM
SCHEMBL4800605 0.86 CACNA1B (0.45) CYP3A4ACEMEN1KMT2AUSP2
SCHEMBL4796498 0.86 HTR2A (0.38) ACEMEN1KMT2AUSP2LMNA
SCHEMBL4799891 0.85 CYP3A4 (0.43) CYP3A4ACEGRIN2BSMN1; SMN2PKM
SCHEMBL4796575 0.84 FKBP1A (0.44) CYP3A4GRIN2BSMN1; SMN2PKMHTT
SCHEMBL4798199 0.84 ACE (0.46) CYP3A4ACEMEN1KMT2AUSP2
SCHEMBL4796044 0.83 CYP3A4 (0.45) CYP3A4GRIN2BSMN1; SMN2PKMHTT

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 2 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
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 365/4885ACE 1148/4885MEN1 1912/4885

“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.