SCHEMBL89826

SCHEMBL89826

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N(c2ccc3c(c2)N(CCCOC2CCCCO2)C(=O)C(C)(C)O3)C2CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 6/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 4/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL89961 0.96 ALDH1A1 (0.35) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90679 0.94 REN (0.37) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89057 0.90 REN (0.43) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90199 0.90 ALDH1A1 (0.36) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90629 0.86 REN (0.39) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89397 0.86 REN (0.53) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90672 0.84 MEN1 (0.36) KMT2AMEN1
SCHEMBL90216 0.83 REN (0.43) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90060 0.83 REN (0.48) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89822 0.83 REN (0.44) RENALDH1A1SMN1; SMN2KMT2APOLB

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885ALDH1A1 38/4885SMN1; SMN2 1867/4885

“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.