SCHEMBL1509686

SCHEMBL1509686

CCC(C)CC(=O)CC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.32
ACHE P22303 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
USP2 O75604 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR3 O14843 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
SCHEMBL107548 0.92 CYP2C19 (0.46) TDP1TSHRALDH1A1CYP2C19CA2
SCHEMBL13283544 0.88
SCHEMBL14400112 0.88
SCHEMBL104058 0.88
SCHEMBL11405886 0.87 TSHR (0.44) TDP1TSHRCYP2C19CA2CA1
SCHEMBL21478225 0.85 CA1 (0.30) CA2CA1CA7CA14ELANE
SCHEMBL3237663 0.84
SCHEMBL12820604 0.84
SCHEMBL11460256 0.84
Formaldehyde SCHEMBL2638163 0.84 TDP1 (0.43) TDP1TSHRALDH1A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110402288-A It is formed for pretreated higher-pressure region SWEETWATER ENERGY INC 2019-11-01 CN disclosed
CN-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 CN disclosed
US-9062047-B2 Crystalline form of pyrimido[6,1-A] isoquinolin-4-one compound VERONA PHARMA PLC (GB) 2015-06-23 US disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 CN disclosed
US-20130225616-A1 CRYSTALLINE FORM OF PYRIMIDIO[6,1-A] ISOQUINOLIN-4-ONE COMPOUND VERONA PHARMA PLC (CA) 2013-08-29 US disclosed
WO-2013037133-A1 PROCESS FOR PREPARING METHACRYLIC ACID AND/OR ALKYL METHACRYLATES EVONIK ROEHM GMBH (DE) 2013-03-21 WO disclosed
EP-1160329-B1 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin NIPPON CATALYTIC CHEM IND (JP) 2011-04-06 EP disclosed
EP-2295592-A1 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin Nippon Shokubai Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20070149727-A1 Moisture-curable resin composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2007-06-28 US disclosed
US-5174916-A Lubricant additive composition containing nonionic fluorochemical polymer and method of using same OSGOOD GORDON (US) 1992-12-29 US disclosed
US-4824925-A KETOXIME-BLOCKED M-XYLYLENE DIISOCYANATE PPG INDUSTRIES, INC. (US) 1989-04-25 US disclosed
US-4259305-A PRECIPITATION OF HIGHER PHOSPHONITRILIC CHLORIDES BY CONTACTING WITH A KETONE ETHYL CORPORATION (US) 1981-03-31 US disclosed
US-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed
US-4134889-A Manufacture of glycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4097521-A Manufacture of amidosulfonic acids BASF AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4047959-A TEXTILE FIRE RETARDANT PENNWALT CORPORATION (US) 1977-09-13 US disclosed
US-4042587-A PESTICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 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-20130225616-A1 CRYSTALLINE FORM OF PYRIMIDIO[6,1-A] ISOQUINOLIN-4-ONE COMPOUND NUDT1, PNP, UMPS TDP1 1648/4885TSHR 4207/4885ALDH1A1 479/4885

“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.