SCHEMBL6044829

SCHEMBL6044829

CC(C)C(CBr)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
REN P00797 1/20 0.41
ACACB O00763 3/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
EPHX1 P07099 1/20 0.40
GRIA4 P48058 1/20 0.38
COPS5 Q92905 1/20 0.36
KCNH2 Q12809 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP19A1 P11511 1/20 0.35
LMNA P02545 1/20 0.34
TYR P14679 1/20 0.34
APP P05067 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL6044834 1.00 TSHR (0.51) TSHRTP53RENACACBEBP
SCHEMBL6044579 0.81 TP53 (0.51) TSHRTP53RENACACBEBP
SCHEMBL6044360 0.81 TP53 (0.51) TSHRTP53RENACACBEBP
SCHEMBL6044363 0.81 TP53 (0.51) TSHRTP53RENACACBEBP
SCHEMBL10667108 0.81 TSHR (0.55) TSHRTP53RENACACBEBP
SCHEMBL11399686 0.77 SLC6A2 (0.53) TSHRACACB
SCHEMBL547420 0.76 TSHR (0.62) TSHRTP53ACACBEBPSIGMAR1
SCHEMBL8905139 0.74 TSHR (0.47) TSHRTP53RENACACBEBP
SCHEMBL8905141 0.74 TSHR (0.47) TSHRTP53RENACACBEBP
SCHEMBL11488062 0.73 TSHR (0.55) TSHRTP53ACACBEBPSIGMAR1

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 TSHR 876/4885TP53 3832/4885REN 970/4885

“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.