SCHEMBL28486

SCHEMBL28486

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SLC7A5 Q01650 2/20 0.35
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL11352077 0.80 TP53 (0.32) TP53
SCHEMBL4206119 0.79 ALDH1A1 (0.40) TP53ALDH1A1TSHRSLC7A5MAPT
SCHEMBL2686145 0.73 TP53 (0.47) TP53ALDH1A1TSHRSLC7A5GABRR1
SCHEMBL5161200 0.73 CYP2D6 (0.41) TP53ALDH1A1TSHRSLC7A5CYP1A2
SCHEMBL2784566 0.73 ALDH1A1 (0.40) TP53ALDH1A1TSHRSLC7A5MAPT
SCHEMBL17407606 0.73 ALDH1A1 (0.40) TP53ALDH1A1TSHRSLC7A5MAPT
SCHEMBL7326571 0.73 ALDH1A1 (0.40) TP53ALDH1A1TSHRSLC7A5MAPT
SCHEMBL380554 0.73 ALDH1A1 (0.35) TP53ALDH1A1TSHRMAPTPTGS1
SCHEMBL10804484 0.71 TP53 (0.44) TP53ALDH1A1TSHRSLC7A5GABRR1
SCHEMBL125061 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092500-B2 Oral care compositions BASF SE (DE) 2018-10-09 US claimed
CN-106280440-B A kind of polymolecularity Polyimide/Nano particle composite film and preparation method thereof 齐鲁工业大学 2018-04-13 CN claimed
CN-104744696-B Polyimide film and flexible PCB and preparation method thereof 比亚迪股份有限公司 2017-09-29 CN claimed
US-20170216191-A1 ORAL CARE COMPOSITIONS BASF SE (DE) 2017-08-03 US claimed
US-20170143612-A1 ORAL CARE COMPOSITIONS BASF SE (DE) 2017-05-25 US claimed
EP-3128998-A1 ORAL CARE COMPOSITIONS BASF SE (DE) 2017-02-15 EP claimed
EP-3128992-A1 ORAL CARE COMPOSITIONS BASF SE (DE) 2017-02-15 EP claimed
CN-105601900-A Polyester-type alkaline-water-soluble photocuring resin and preparation method thereof, and photoinduced imaging agent SHENZHEN RONGDA PHOTOSENSITIVE SCIENCE & TECH CO LTD 2016-05-25 CN claimed
EP-2969949-A1 SYNTHETIC MEGAKALSILITE VIA HYDROTHERMAL PREPARATION BASF SE (DE) 2016-01-20 EP claimed
EP-2969954-A1 SYNTHETIC ZINC HECTORITE VIA HYDROTHERMAL PREPARATION BASF SE (DE) 2016-01-20 EP claimed
CN-104744696-A Polyimide film and flexible printed circuit board as well as preparation methods thereof BYD CO LTD 2015-07-01 CN claimed
WO-2014164629-A1 SYNTHETIC MEGAKALSILITE VIA HYDROTHERMAL PREPARATION BASF SE (DE) 2014-10-09 WO claimed
WO-2014164632-A1 SYNTHETIC ZINC HECTORITE VIA HYDROTHERMAL PREPARATION BASF SE (DE) 2014-10-09 WO claimed
WO-2014164624-A1 SYNTHETIC ZINC PHLOGOPITE VIA HYDROTHERMAL PREPARATION BASF SE (DE) 2014-10-09 WO claimed
US-20140251202-A1 Synthetic Zinc Phlogopite via Hydrothermal Preparation BASF SE (DE) 2014-09-11 US claimed
US-20140256866-A1 Synthetic Megakalsilite via Hydrothermal Preparation BASF SE (DE) 2014-09-11 US claimed
CN-101494953-B Preparation method of double-layer method flexibility two-side coated copper plate for multilayer flexibility printed circuit HUASHUO TECHNOLOGY CO LTD 2010-10-13 CN claimed
CN-101494953-A Double-layer method flexibility two-side coated copper plate for multilayer flexibility printed circuit HUASHUO TECHNOLOGY CO LTD (CN) 2009-07-29 CN claimed
CN-101418079-A Method for preparing polyimide lubrication film containing fullerene additives UNIV TONGJI (CN) 2009-04-29 CN claimed
EP-0022997-B1 2,2,6,6-TETRAMETHYL-4-PIPERIDYL CARBOXYLIC ACID ESTERS AND AMIDES OF MONO AND POLY ALCOHOLS, PHENOLS AND AMINES AND SYNTHETIC POLYMER COMPOSITIONS STABILIZED THEREBY ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1985-10-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170143612-A1 ORAL CARE COMPOSITIONS ARG1, ARGLU1, HDAC1 TP53 4209/4885ALDH1A1 4352/4885TSHR 2890/4885
US-20170216191-A1 ORAL CARE COMPOSITIONS ARG1, ARGLU1, IDUA TP53 3244/4885ALDH1A1 3604/4885TSHR 3397/4885
US-10092500-B2 Oral care compositions ARG1, ARGLU1, IDUA TP53 3244/4885ALDH1A1 3604/4885TSHR 3397/4885

“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.