SCHEMBL163932

SCHEMBL163932

CC(C)COC(=O)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.60
ADRB1 P08588 4/20 0.60
ADRB3 P13945 4/20 0.60
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
MAPK1 P28482 2/20 0.49
JMJD6 Q6NYC1 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HSD17B1 P14061 1/20 0.46

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
SCHEMBL109308 0.90 ALDH1A1 (0.61) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL23484189 0.89 ADRB2 (0.56) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5164152 0.83 TSHR (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL7539561 0.83 ADRB2 (0.57) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL10455395 0.83 ALDH1A1 (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL163931 0.83 ALDH1A1 (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL5164967 0.83 ALDH1A1 (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL6057072 0.83 ADRB2 (0.66) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL20644673 0.82 CA12 (0.58) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL39762 0.82 CA12 (0.63) ADRB2ADRB1ADRB3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109695038-B Pickling roll manufacturing process 浙江协和薄钢科技有限公司 2020-10-13 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US disclosed
CN-109695038-B Pickling roll manufacturing process 浙江协和薄钢科技有限公司 2020-10-13 CN disclosed
CN-109695038-A Manufacturing process is rolled up in pickling 浙江协和薄钢科技有限公司 2019-04-30 CN disclosed
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 US disclosed
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 US disclosed
US-10005787-B2 Highly photo-stable bis-triazole fluorophores NITTO DENKO CORPORATION (JP) 2018-06-26 US disclosed
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2018-01-04 US disclosed
US-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2018-01-04 US disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
WO-2016112220-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES NITTO DENKO CORPORATION (JP) 2016-07-14 WO disclosed
WO-2016112200-A1 THERMAL REGULATING WAVELENGTH CONVERSION FILMS INCORPORATING PHASE CHANGE MATERIALS NITTO DENKO CORPORATION (JP) 2016-07-14 WO disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
EP-0658573-B1 Mannich condensation products of polyalkylene hydroxyaromatic esters and fuel compositions containing the same CHEVRON CHEM CO (US) 1998-05-13 EP disclosed
EP-0658573-A2 Mannich condensation products of polyalkylene hydroxyaromatic esters and fuel compositions containing the same CHEVRON CHEMICAL COMPANY (US) 1995-06-21 EP disclosed
US-5399178-A Antideposit agents CHEVRON CHEMICAL COMPANY (US) 1995-03-21 US disclosed
US-4274991-A PLASTICIZERS BAYER AKTIENGESELLSCHAFT (DE) 1981-06-23 US disclosed
US-4051122-A Disazo pigments containing tetracarboxylic acid ester groups CIBA-GEIGY CORPORATION (US) 1977-09-27 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 (4 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-20180002337-A1 HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES CBR3, TPD52L2, TNS4 ADRB2 3088/4885ADRB1 3751/4885ADRB3 2552/4885
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ADRB2 4470/4885ADRB1 4341/4885ADRB3 2789/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 ADRB2 1048/4885ADRB1 766/4885ADRB3 1212/4885
US-10005787-B2 Highly photo-stable bis-triazole fluorophores CBR3, TPD52L2, TNS4 ADRB2 3088/4885ADRB1 3751/4885ADRB3 2552/4885

“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.