SCHEMBL10242686

SCHEMBL10242686

CC(=O)Cn1ccc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
NPC1 O15118 1/20 0.38
NOS1 P29475 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL604399 0.84 GAA (0.54) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL12985068 0.82 GAA (0.53) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL12646124 0.81 THRB (0.50) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL22445331 0.80 KDM4C (0.36) GAALMNANPC1KDM4CKMT2A
SCHEMBL13100959 0.79 GAA (0.50) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL21241777 0.79 GAA (0.70) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL22305679 0.79 GAA (0.50) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL15075621 0.79 GAA (0.54) GAAAKR1C3AKR1C2AKR1C1THRB
SCHEMBL12633755 0.78 ALDH1A1 (0.42) GAALMNAL3MBTL1NPC1NOS1
SCHEMBL2828144 0.78 GAA (0.60) GAAAKR1C3AKR1C2AKR1C1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
EP-2683371-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS Cereno Scientific AB (SE) 2014-01-15 EP disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
WO-2012120262-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS LARSSON PIA (SE) 2012-09-13 WO disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 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 (4 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-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL GAA 638/4885AKR1C3 775/4885AKR1C2 431/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 GAA 1862/4885AKR1C3 1110/4885AKR1C2 1014/4885
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH GAA 329/4885AKR1C3 222/4885AKR1C2 379/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 GAA 586/4885AKR1C3 76/4885AKR1C2 46/4885

“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.