SCHEMBL6863572

SCHEMBL6863572

CCCCOC(=O)CC(CCCC)C(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
CA1 P00915 3/20 0.47
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.42
DGKA P23743 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL6863596 0.95 NAAA (0.48) CA2CA1NAAAALDH1A1MAPK1
SCHEMBL28343549 0.95 NAAA (0.53) CA2CA1NAAAMAPK1NPSR1
SCHEMBL27259516 0.93 CA2 (0.44) CA2CA1NAAAALDH1A1MAPK1
SCHEMBL28077392 0.93 NAAA (0.56) CA2CA1NAAAMAPK1NPSR1
SCHEMBL28287643 0.93 NAAA (0.56) CA2CA1NAAAMAPK1NPSR1
SCHEMBL6871073 0.93 NAAA (0.52) CA2CA1NAAAALDH1A1MAPK1
SCHEMBL6871618 0.93 NAAA (0.52) CA2CA1NAAAALDH1A1MAPK1
SCHEMBL6863719 0.93 NAAA (0.52) CA2CA1NAAAALDH1A1MAPK1
SCHEMBL6863386 0.93 NAAA (0.52) CA2CA1NAAAALDH1A1MAPK1
SCHEMBL6870485 0.93 NAAA (0.52) CA2CA1NAAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172961-A Production of 1,4-butanediol DENKA CHEMICAL CORPORATION (US) 1979-10-30 US claimed
US-4032583-A SOLVENT EXTRACTION, DISTILLATION PETRO-TEX CHEMICAL CORPORATION (US) 1977-06-28 US claimed
CN-107868058-B Salt of quinazoline derivative, preparation method and application thereof 上海医药集团股份有限公司 2023-02-14 CN disclosed
CN-107868059-B Salt of quinazoline derivative, preparation method and application thereof 上海医药集团股份有限公司 2022-07-19 CN disclosed
EP-2782893-B1 PROCESS FOR PRODUCING 1,4-BUTANEDIOL, GAMMA-BUTYROLACTONE AND TETRAHYDROFURAN BY HYDROGENATING DIALKYL MALEATE IN MIXED LIQUID/VAPOR PHASE CONSER SPA (IT) 2017-08-23 EP disclosed
US-9040756-B2 Process for producing 1,4-butanediol by hydrogenating dialkyl maleate in mixed liquid/vapor phase CONSER SPA (IT) 2015-05-26 US disclosed
US-20140316146-A1 PROCESS FOR PRODUCING 1,4- BUTANEDIOL BY HYDROGENATING DIALKYL MALEATE IN MIXED LIQUID/VAPOR PHASE CONSER SPA (IT) 2014-10-23 US disclosed
EP-2782893-A1 PROCESS FOR PRODUCING 1,4- BUTANEDIOL BY HYDROGENATING DIALKYL MALEATE IN MIXED LIQUID/VAPOR PHASE Conser S.P.A. (IT) 2014-10-01 EP disclosed
WO-2013076747-A1 PROCESS FOR PRODUCING 1,4- BUTANEDIOL BY HYDROGENATING DIALKYL MALEATE IN MIXED LIQUID/VAPOR PHASE CONSER SPA (IT) 2013-05-30 WO disclosed
EP-1165633-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP disclosed
US-6716939-B2 COMPRISING TITANIUM, MAGNESIUM, HALOGEN AND AN ELECTRON DONOR COMPOUND SELECTED FROM ESTERS OF SUBSTITUTED SUCCINIC ACIDS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-04-06 US disclosed
WO-1988000937-A1 PROCESS FOR THE CO-PRODUCTION OF BUTANE-1,4-DIOL AND GAMMA-BUTYROLACTONE DAVY MCKEE (LONDON) LIMITED (GB) 1988-02-11 WO disclosed
EP-0223814-A1 PROCESS FOR THE PRODUCTION OF $i(GAMMA)-BUTYROLACTONE DAVY McKEE (LONDON) LIMITED (GB) 1987-06-03 EP disclosed
WO-1986007358-A1 PROCESS FOR THE PRODUCTION OF GAMMA-BUTYROLACTONE DAVY MCKEE (LONDON) LIMITED (GB) 1986-12-18 WO disclosed
EP-0204730-A1 PROCESS FOR THE PRODUCTION OF BUTANE-1,4-DIOL DAVY McKEE (LONDON) LIMITED (GB) 1986-12-17 EP disclosed
WO-1986003189-A1 PROCESS FOR THE PRODUCTION OF BUTANE-1,4-DIOL DAVY MCKEE (LONDON) LIMITED (GB) 1986-06-05 WO disclosed
US-4172961-A Production of 1,4-butanediol DENKA CHEMICAL CORPORATION (US) 1979-10-30 US disclosed
US-4172961-A Production of 1,4-butanediol DENKA CHEMICAL CORPORATION (US) 1979-10-30 US disclosed
US-4032458-A FROM MALEIC ACID; ESTERIFICATION-DEHYDRATION, HYDROGENATION AND REDUCTION USING COPPER CHROMITE CATALYST PETRO-TEX CHEMICAL CORPORATION (US) 1977-06-28 US disclosed
US-4032583-A SOLVENT EXTRACTION, DISTILLATION PETRO-TEX CHEMICAL CORPORATION (US) 1977-06-28 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-20140316146-A1 PROCESS FOR PRODUCING 1,4- BUTANEDIOL BY HYDROGENATING DIALKYL MALEATE IN MIXED LIQUID/VAPOR PHASE SDHA, BCKDK, HPD CA2 1186/4885CA1 954/4885NAAA 3299/4885

“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.