SCHEMBL6044360

SCHEMBL6044360

CC(C)C(CO)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.44
REN P00797 1/20 0.43
LMNA P02545 2/20 0.43
TYR P14679 1/20 0.43
ACACB O00763 3/20 0.43
EPHX1 P07099 1/20 0.43
TRPA1 O75762 2/20 0.42
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
COPS5 Q92905 1/20 0.39
EPHX2 P34913 1/20 0.38
GRIA4 P48058 1/20 0.38
ESRRG P62508 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6044363 1.00 TP53 (0.51) TP53TSHRRECQLRENLMNA
SCHEMBL6044579 1.00 TP53 (0.51) TP53TSHRRECQLRENLMNA
SCHEMBL6044829 0.81 TSHR (0.51) TP53TSHRRECQLRENLMNA
SCHEMBL6044834 0.81 TSHR (0.51) TP53TSHRRECQLRENLMNA
SCHEMBL444104 0.81 TSHR (0.55) TP53TSHRRECQLRENLMNA
SCHEMBL8967452 0.81 TSHR (0.55) TP53TSHRRECQLRENLMNA
SCHEMBL8323180 0.81 TSHR (0.55) TP53TSHRRECQLRENLMNA
SCHEMBL6381994 0.79 TSHR (0.52) TP53TSHRRECQLLMNATYR
SCHEMBL13996982 0.77 TRPA1 (0.69) TRPA1TAAR1
SCHEMBL5231783 0.77 TP53 (0.50) TP53TSHRRECQLLMNATYR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 TP53 3832/4885TSHR 876/4885RECQL 1485/4885

“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.