SCHEMBL2461802

SCHEMBL2461802

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(Cl)(Cl)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
BTN3A1 O00481 7/20 0.49
ENO1 P06733 2/20 0.40
PRKCA P17252 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ABCB11 O95342 1/20 0.32
POLA1 P09884 1/20 0.32
POLG P54098 1/20 0.32
FAP Q12884 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18712422 0.84 ALDH1A1 (0.54) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL2457439 0.82 ALDH1A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL25866618 0.82 ALDH1A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL2461589 0.81 ALDH1A1 (0.51) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL20709823 0.80 BTN3A1 (0.51) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL10378800 0.79 BTN3A1 (0.50) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL9891063 0.78 BTN3A1 (0.49) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL3437081 0.78 BTN3A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL10378801 0.78 BTN3A1 (0.49) ALDH1A1BTN3A1ENO1PRKCAFNTA
SCHEMBL28720185 0.78 BTN3A1 (0.53) ALDH1A1BTN3A1ENO1PRKCAFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP claimed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP claimed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP disclosed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US disclosed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ALDH1A1 3179/4885BTN3A1 2268/4885ENO1 2926/4885

“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.