SCHEMBL10227597

SCHEMBL10227597

Bc1ccc(C(C)C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ PTGS1 P23219 2/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PTGS2 P35354 1/20 0.37
▸ RNASEH1 O60930 1/20 0.36
▸ TYR P14679 3/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ ACHE P22303 4/20 0.34
▸ BCHE P06276 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ SCN4A P35499 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17041578 0.82 ADRB2 (0.41) LMNAPTGS1TRPA1CACNA1CHIF1A
SCHEMBL13890678 0.81 LMNA (0.58) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL19317747 0.80 LMNA (0.44) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL598134 0.77 LMNA (0.65) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL25027728 0.76 LMNA (0.41) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL20676163 0.75 LMNA (0.77) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL22618958 0.74 LMNA (0.40) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL16511366 0.74 LMNA (0.40) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL12101199 0.74 PTGS1 (0.59) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL9452689 0.73 LMNA (0.54) LMNAPTGS1TRPA1CACNA1CHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3566719-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES Cerulean Pharma Inc. (US) 2019-11-13 — — EP disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 — — US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 — — 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-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR LMNA 4313/4885PTGS1 205/4885TRPA1 237/4885

“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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