SCHEMBL18213670

SCHEMBL18213670

C=C1C(=O)C(C)=C1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL5086297 0.72 — —
SCHEMBL21342599 0.72 ALDH1A1 (0.33) ALDH1A1MAPTMCL1ATM
SCHEMBL16450988 0.72 KDM4E (0.32) ALDH1A1MAPT
SCHEMBL20871750 0.71 ALDH1A1 (0.36) ALDH1A1MAPTMCL1ATM
SCHEMBL10155562 0.67 — —
SCHEMBL7521215 0.67 — —
SCHEMBL8849510 0.66 ALDH1A1 (0.42) ALDH1A1MAPTMCL1ATM
SCHEMBL12954661 0.64 — —
SCHEMBL1102013 0.62 CDC25B (0.52) ALDH1A1MAPTATM
SCHEMBL19983586 0.61 CTSD (0.38) CTSD

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-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 — — US disclosed
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2016-11-10 — — 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-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 CTSD 3935/4885ALDH1A1 1458/4885MAPT 4275/4885

“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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