SCHEMBL3238671

SCHEMBL3238671

CCOC(=O)c1ccc(C(OCC)(OCC)[PH2]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HPGD P15428 5/20 0.48
RECQL P46063 1/20 0.48
STS P08842 1/20 0.48
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL7751798 0.88 MAPT (0.49) CA1CA2CA12CA7CA9
SCHEMBL4689121 0.84 MEN1 (0.46) CA1CA2CYP1A2SMN1; SMN2KMT2A
SCHEMBL2574864 0.78 ESR1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL87450 0.77 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL571045 0.76 CA12 (0.63) CA1CA2CA12CA7CA9
SCHEMBL9781670 0.76 LMNA (0.67) CA1CA2CA12CA7CA9
SCHEMBL2888233 0.76 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL30271267 0.75 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL21440358 0.75 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL29504635 0.75 CA1 (0.79) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010019828-A1 GLUCAGON RECEPTOR ANTAGONISTS METABASIS THERAPEUTICS, INC. (US) 2010-02-18 WO disclosed
US-20050113447-A1 Selective retinoid agonists BELLONI PAULA N (US) 2005-05-26 US disclosed
US-6828337-B2 Bicyclic retinods containing ester or acid group; useful for treating emphysema HOFFMANN-LA ROCHE INC. 2004-12-07 US disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
EP-1206436-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2004-10-13 EP disclosed
US-20030176726-A1 Bicyclic retinods containing ester or acid group; useful for treating emphysema HOFFMANN-LA ROCHE INC. 2003-09-18 US disclosed
US-6528677-B1 Such as 4-(4,4,7,7-tetramethyl-2-pentyl-2,3,4,5,6,7-hexa-hydro-1H-indene-2 -ylethynyl)-benzoic acid; emphysema HOFFMANN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1206436-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-05-22 EP disclosed
WO-2001009076-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2001-02-08 WO 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 (3 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-20030176726-A1 Bicyclic retinods containing ester or acid group; useful for treating emphysema RARG, RXRA, RXRG CA1 4338/4885CA2 3714/4885CA12 3889/4885
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R CA1 4351/4885CA2 952/4885CA12 3074/4885
US-20050113447-A1 Selective retinoid agonists RARA, RARB, RARG CA1 4592/4885CA2 4500/4885CA12 3800/4885

“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.