SCHEMBL2648207

SCHEMBL2648207

CCOC(=O)CCC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
KLK7 P49862 4/20 0.48
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 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
SCHEMBL1172293 0.98 MEN1 (0.54) MEN1KMT2AMAPTATMTDP1
SCHEMBL31323929 0.98 MEN1 (0.54) MEN1KMT2AMAPTATMTDP1
SCHEMBL18311726 0.98 MEN1 (0.54) MEN1KMT2AMAPTATMTDP1
SCHEMBL9744436 0.98 MEN1 (0.54) MEN1KMT2AMAPTATMTDP1
SCHEMBL7886952 0.96 ALDH1A1 (0.49) MEN1KMT2AMAPTATMTDP1
SCHEMBL18623243 0.92 ALDH1A1 (0.50) MEN1KMT2AMAPTATMTDP1
SCHEMBL24740428 0.87 TDP1 (0.55) TDP1L3MBTL1ALDH1A1USP2ALOX15
SCHEMBL5827221 0.87 CYP1A2 (0.48) MEN1KMT2AMAPTATMTDP1
SCHEMBL7683870 0.87 CYP1A2 (0.48) MEN1KMT2AMAPTATMTDP1
SCHEMBL10073831 0.86 ALDH1A1 (0.46) MEN1KMT2AMAPTATMTDP1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822398-B2 Labelling compounds and their use in assays ATLAS GENETICS LIMITED (GB) 2017-11-21 US disclosed
CN-105948682-A Plastic concrete used for preventing leakage, and preparation method thereof 中国港湾工程有限责任公司 2016-09-21 CN disclosed
EP-2300478-B1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 US disclosed
US-9102679-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-11 US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-9096603-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivatives and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-8962843-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole beta-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8962844-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole β-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20150031665-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 US disclosed
US-20030087775-A1 Use of tertiary alcohols or esters as perfuming ingredients FIRMENICH SA (CH) 2003-05-08 US disclosed
EP-1288280-A2 Use of tertiary alcohols or esters as perfuming ingredients FIRMENICH SA (CH) 2003-03-05 EP disclosed
EP-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO disclosed
EP-0713485-B1 THIOCARBAMOYL COMPOUNDS AS MICROBICIDES BAYER AG (DE) 1998-04-15 EP disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0713485-A1 THIOCARBAMOYL COMPOUNDS BAYER AG (DE) 1996-05-29 EP disclosed
WO-1995004722-A1 THIOCARBAMOYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1995-02-16 WO disclosed
EP-0115409-A2 Indane derivatives, their production and use thereof Takeda Chemical Industries, Ltd. (JP) 1984-08-08 EP disclosed
US-3966792-A Prostaglandin compounds ONO PHARMACEUTICAL CO., LTD. (JA) 1976-06-29 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-20150031665-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS BTD, BLVRB, PEPD MEN1 3716/4885KMT2A 3510/4885MAPT 3656/4885

“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.