SCHEMBL13889409

SCHEMBL13889409

CC(=O)c1cc2ccc(C(C)C)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
PHGDH O43175 5/20 0.41
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
EIF4A3 P38919 1/20 0.39
SLC9A1 P19634 1/20 0.37
TYR P14679 1/20 0.37
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 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
SCHEMBL13895693 0.87 MCL1 (0.58) MCL1PHGDHTP53RXFP1GPR35
SCHEMBL13881405 0.87 KDM4E (0.46) MCL1PHGDHTP53RXFP1GPR35
SCHEMBL13895694 0.86 SLC9A1 (0.42) MCL1PHGDHTP53RXFP1GPR35
SCHEMBL10084914 0.77 MCL1 (0.57) MCL1GPR35
SCHEMBL17324790 0.74 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL30790917 0.74 HSD17B10 (0.62) MCL1PHGDHGPR35KDM4EALDH1A1
SCHEMBL9613270 0.74 HSD17B10 (0.62) MCL1PHGDHGPR35KDM4EALDH1A1
SCHEMBL401039 0.74 MCL1 (0.73) MCL1PHGDHSLC9A1MAPT
SCHEMBL23171258 0.74 LMNA (0.39) RXFP1EIF4A3TYRHTR7KDM4E
SCHEMBL13677503 0.74 HTR7 (0.38) PHGDHEIF4A3TYRHTR7ALDH1A1

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-8629141-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-01-14 US disclosed
US-20120289494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS SANOFI (FR) 2012-11-15 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-20120289494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 MCL1 304/4885PHGDH 2561/4885TP53 1/4885

“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.