SCHEMBL13889406

SCHEMBL13889406

CCc1cc(C(C)=O)ccc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B1 P14061 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL12446720 0.85 HSP90AA1 (0.45) PKMPOLBALDH1A1HIF1AHSD17B1
SCHEMBL13889415 0.85 ACE2 (0.58) ALDH1A1TSHRACE2HSP90AA1HSP90AB1
SCHEMBL13895736 0.84 MAPK1 (0.45) ALDH1A1TSHRACE2HSP90AA1HSP90AB1
SCHEMBL28407172 0.82 ACE2 (0.41) ALDH1A1ACE2HSP90AA1HSP90AB1
SCHEMBL19658025 0.81 HSP90AA1 (0.49) ALDH1A1ACE2HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL13377058 0.80 CYP2A6 (0.47) PKMALDH1A1CREBBPACE2CYP2A6
SCHEMBL13651423 0.79 HSP90AA1 (0.46) PKMPOLBALDH1A1HIF1ATSHR
SCHEMBL3279437 0.78 PKM (0.57) PKMPOLBALDH1A1HIF1AHSD17B1
SCHEMBL26030945 0.77 CREBBP (0.59) ALDH1A1HIF1ATSHRHTTCREBBP
SCHEMBL27821688 0.77 GAA (0.53) POLBALDH1A1TSHRHTTMEN1

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 PKM 3114/4885POLB 2024/4885ALDH1A1 1498/4885

“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.

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