SCHEMBL534745

SCHEMBL534745

C#CC(Cc1ccccc1)OC(C#C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX1 P07099 1/20 0.43
MAOA P21397 5/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42
SNCA P37840 1/20 0.42
OPRK1 P41145 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL20488797 0.83 MAOB (0.43) MAOBCYP1A2CYP2D6TSHRCYP3A4
SCHEMBL31036773 0.82 PPARG (0.44) MAOBCYP1A2CYP2D6TSHRCYP3A4
SCHEMBL4311358 0.80 EPHX1 (0.43) MAOBCYP1A2CYP2D6TSHRCYP3A4
SCHEMBL20489214 0.80 MAOB (0.45) MAOBCYP1A2CYP2D6TSHRCYP3A4
SCHEMBL7267577 0.79 BLM (0.39) TAAR1CYP2A6
SCHEMBL27093013 0.79 SLC6A4 (0.47) MAOBKDM4ESLC6A2TAAR1SLC6A4
SCHEMBL14775218 0.79 CYP1A2 (0.46) MAOBCYP1A2TSHREPHX1PKM
SCHEMBL14775221 0.79 CYP1A2 (0.46) MAOBCYP1A2TSHREPHX1PKM
SCHEMBL10546279 0.79 MAOB (0.44) MAOBCYP1A2CYP2D6TSHRCYP3A4
SCHEMBL20489216 0.77 MAOB (0.42) MAOBCYP1A2CYP2D6TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191655-B Synthetic method and application of American western corn rootworm sex pheromone 西北农林科技大学 2021-05-28 CN claimed
CN-118994491-A Photocurable composition for stereolithography, stereolithography method using the same, polymer assembly formed by the stereolithography method, and device comprising the polymer assembly 罗杰斯公司 2024-11-22 CN disclosed
CN-113906066-B Photocurable composition for stereolithography, stereolithography method using the same, polymer assembly formed by the stereolithography method, and device comprising the polymer assembly 罗杰斯公司 2024-10-01 CN disclosed
EP-3704086-B1 PROCESS FOR PREPARING 4-CHLOROBENZYL PROPARGYL ETHER BASF SE (DE) 2024-02-21 EP disclosed
WO-2022138791-A1 EP2 ANTAGONIST 小野薬品工業株式会社 2022-06-30 WO disclosed
CN-113906066-A Photocurable composition for stereolithography, stereolithography method using the same, polymer assembly formed by stereolithography method, and device comprising the polymer assembly 罗杰斯公司 2022-01-07 CN disclosed
US-11021413-B2 Benzylpropargylether as nitrification inhibitors BASF SE (DE) 2021-06-01 US disclosed
CN-108191655-B Synthetic method and application of American western corn rootworm sex pheromone 西北农林科技大学 2021-05-28 CN disclosed
US-20190276376-A1 CAPSULES COMPRISING BENZYLPROPARGYLETHERS FOR USE AS NITRIFICATION INHIBITORS BASF SE (DE) 2019-09-12 US disclosed
US-20190276376-A1 CAPSULES COMPRISING BENZYLPROPARGYLETHERS FOR USE AS NITRIFICATION INHIBITORS BASF SE (DE) 2019-09-12 US disclosed
EP-2243777-A1 Method for manufacturing Pyridyl-substituted pyrazoles Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2010112178-A1 METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-10-07 WO disclosed
WO-2004072078-A1 PYRAZOLOTRIAZINE DERIVATIVES, METHODS FOR PRODUCTION AND USES THEREOF UNIVERSITE LOUIS PASTEUR (FR) 2004-08-26 WO disclosed
EP-0759915-B1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS INC (US) 2002-10-16 EP disclosed
US-6057328-A TREATING CONDITIONS RESULTING FROM HYPEROXIA, AND IN PARTICULAR, CONDITIONS RESULTING FROM THERAPEUTIC ADMINISTRATION OF OXYGEN COMPRISING ADMINISTERING XANTHINE COMPOUNDS CELL THERAPEUTICS, INC. (US) 2000-05-02 US disclosed
WO-1999033468-A9 METHOD FOR TREATING HYPEROXIA CELL THERAPEUTICS INC (US) 1999-09-23 WO disclosed
WO-1999033468-A1 METHOD FOR TREATING HYPEROXIA CELL THERAPEUTICS, INC. (US) 1999-07-08 WO disclosed
US-5629423-A Asymmetric synthesis of chiral secondary alcohols CELL THERAPEUTICS, INC. (US) 1997-05-13 US disclosed
EP-0759915-A1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS, INC. (US) 1997-03-05 EP disclosed
WO-1995031450-A1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS, INC. (US) 1995-11-23 WO 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-11021413-B2 Benzylpropargylether as nitrification inhibitors NAT1, PAH, PFAS MAOB 91/4885CYP1A2 11/4885CYP2D6 331/4885

“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.