SCHEMBL5458029

SCHEMBL5458029

CCCCOC(=O)C(C)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ATM Q13315 2/20 0.48
CA1 P00915 3/20 0.47
TSHR P16473 4/20 0.45
HPGD P15428 2/20 0.45
CA2 P00918 2/20 0.44
HCAR2 Q8TDS4 1/20 0.42
NAAA Q02083 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FDPS P14324 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL18859460 1.00 ALDH1A1 (0.52) ALDH1A1ATMCA1TSHRHPGD
SCHEMBL7219469 0.94 CA1 (0.55) ALDH1A1ATMCA1TSHRHPGD
SCHEMBL7222715 0.94 CA1 (0.50) ALDH1A1ATMCA1TSHRCA2
SCHEMBL16826935 0.93 ALDH1A1 (0.54) ALDH1A1ATMCA1TSHRHPGD
SCHEMBL21312412 0.93 CA1 (0.48) ALDH1A1ATMCA1TSHRCA2
SCHEMBL7223421 0.92 NAAA (0.53) ALDH1A1CA1TSHRHCAR2NAAA
SCHEMBL3682422 0.92 CA1 (0.53) ALDH1A1ATMCA1TSHRNAAA
SCHEMBL7217114 0.92 NAAA (0.53) ALDH1A1CA1TSHRHCAR2NAAA
SCHEMBL4727425 0.92 CA1 (0.53) ALDH1A1ATMCA1TSHRNAAA
SCHEMBL7222826 0.92 CA1 (0.53) ALDH1A1ATMCA1TSHRNAAA

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-114921518-A Nano-microorganism co-production technology for coal bed adsorbed gas, coal-to-hydrogen gas and coal-to-methane 成都能生材科技开发有限责任公司 2022-08-19 CN claimed
CN-114921518-A Nano-microorganism co-production technology for coal bed adsorbed gas, coal-to-hydrogen gas and coal-to-methane 成都能生材科技开发有限责任公司 2022-08-19 CN disclosed
CN-113677672-A Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2021-11-19 CN disclosed
CN-113544125-A Pesticidally active azole-amide compounds 先正达农作物保护股份公司 2021-10-22 CN disclosed
CN-112955442-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-06-11 CN disclosed
WO-2021104619-A1 PARTICULATE PRODUCTS AND METHOD FOR PRODUCTION THEREOF SYMRISE AG (DE) 2021-06-03 WO disclosed
CN-112888680-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-06-01 CN disclosed
CN-112702917-A Pesticidally active azole-amide compounds 先正达参股股份有限公司 2021-04-23 CN disclosed
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
CN-103772308-B (preparation method of 1-ethyl-1-methyl-propyl) isoxazole intermediate is with the preparation method of Yi Evil grass amine for 5-amino-3- BEIJING NUTRICHEM COMPANY LIMITED (CN) 2015-11-18 CN disclosed
CN-103772308-A Preparation method of 5-amino-3-(1-ethyl-1-methyl propyl) isoxazole midbody and preparation method of isoxaben NUTRICHEM CO LTD 2014-05-07 CN disclosed
US-20070266622-A1 Fuel oil additive and fuel oil products containing said fuel oil additive JINZHOU SHENGTONG CHEMICAL CO., LTD. (CN) 2007-11-22 US disclosed
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN disclosed
US-20040065002-A1 Fuel oil additive and fuel oil products containing the fuel oil additive HU SHIBIN (CN) 2004-04-08 US disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS ALDH1A1 236/4885ATM 1478/4885CA1 683/4885

“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.