SCHEMBL433131

SCHEMBL433131

CCOC(=O)CC(O)(CC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SLC13A5 Q86YT5 7/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
TRPA1 O75762 1/20 0.39
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL16737228 1.00 ALDH1A1 (0.58) ALDH1A1MGAMGAASIMGAM2
SCHEMBL72953 0.98 ALDH1A1 (0.60) ALDH1A1MGAMGAASIMGAM2
SCHEMBL30384961 0.98 ALDH1A1 (0.60) ALDH1A1MGAMGAASIMGAM2
Citric Acid SCHEMBL4292973 0.98 ALDH1A1 (0.60) ALDH1A1MGAMGAASIMGAM2
Water SCHEMBL28164707 0.96 ALDH1A1 (0.58) ALDH1A1MGAMGAASIMGAM2
SCHEMBL27981114 0.96 ALDH1A1 (0.58) ALDH1A1MGAMGAASIMGAM2
Ammonia Solution, Strong SCHEMBL29179739 0.96 ALDH1A1 (0.58) ALDH1A1MGAMGAASIMGAM2
Ammonia Solution, Strong SCHEMBL9150405 0.96 ALDH1A1 (0.58) ALDH1A1MGAMGAASIMGAM2
SCHEMBL2563408 0.94 ALDH1A1 (0.56) ALDH1A1MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL7039336 0.94 ALDH1A1 (0.56) ALDH1A1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117258040-A Preparation method of 3D printing cerium hydroxyapatite bone repair stent material 西北大学 2023-12-22 CN claimed
CN-105385680-B For the reagent that DNA and RNA is extracted simultaneously, extracting method and purposes 天津脉络生物科技有限公司 2019-01-25 CN claimed
CN-106735295-B A kind of two-dimensional layer Au nanometer sheet material and preparation method thereof 中南大学 2018-11-23 CN claimed
CN-105728742-B The preparation method of Au nano materials/Au metal oxide nano composite materials 陈羽 2018-02-16 CN claimed
CN-106735295-A A kind of two-dimensional layer Au nanometer sheet materials and preparation method thereof 中南大学 2017-05-31 CN claimed
CN-105728742-A Preparation method for Au nanometer material/Au-metallic oxide nano-composite material 陈羽 2016-07-06 CN claimed
CN-103893620-B Chinese medicinal composition for preventing and treating diabetes and preparation method thereof LI ZHENGCHAO 2015-04-08 CN claimed
CN-103893620-A Chinese medicinal composition for preventing and treating diabetes and preparation method thereof LI ZHENGCHAO 2014-07-02 CN claimed
CN-103146668-A Preparation process of lumbrokinase dry powder TIANJIN JIAWO TECHNOLOGY CO LTD 2013-06-12 CN claimed
CN-117258040-A Preparation method of 3D printing cerium hydroxyapatite bone repair stent material 西北大学 2023-12-22 CN disclosed
CN-113546171-A Phototherapy nano antibacterial material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2021-10-26 CN disclosed
CN-110797581-B Porous carbon material composite gel polymer electrolyte based on ultrahigh specific surface area and preparation method and application thereof 广州大学 2020-12-08 CN disclosed
CN-110797581-A Porous carbon material composite gel polymer electrolyte based on ultrahigh specific surface area and preparation method and application thereof 广州大学 2020-02-14 CN disclosed
CN-110292574-A A kind of anti-bowelcancer medicine composition and its application 江苏红豆杉药业有限公司 2019-10-01 CN disclosed
US-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER JSC GRINDEKS (LV) 2012-01-26 US disclosed
EP-2406218-A1 Pharmaceutical combination of 5-fluorouracil and derivate of 1,4-dihydropyridine and its use in the treatment of cancer Grindeks, A Joint Stock Company (LV) 2012-01-18 EP disclosed
WO-2010103067-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER GRINDEKS, A JOINT STOCK COMPANY (LV) 2010-09-16 WO disclosed
EP-2228365-A1 Pharmaceutical combination of 5-fluorouracil and derivative of 1,4-dihydropyridine and its use in the treatment of cancer Grindeks, a joint stock company (LV) 2010-09-15 EP disclosed
CN-1303086-C Compound of dual functional esterified prodrug of Cefetamet, and oral preparation ZHU XIAOMAO (CN) 2007-03-07 CN disclosed
CN-1687076-A Compound of dual functional esterified prodrug of Cefetamet, and oral preparation ZHU XIAOMAO (CN) 2005-10-26 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-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER DPYD, DHFR, FOLR1 ALDH1A1 63/4885MGAM 1973/4885GAA 3367/4885

“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.