SCHEMBL30045

SCHEMBL30045

Fc1ccc(OC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.57
FAAH O00519 1/20 0.48
HRH1 P35367 1/20 0.43
PARP10 Q53GL7 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL9572112 1.00 EPHX2 (0.57) EPHX2FAAHHRH1PARP10ADRB2
SCHEMBL9572108 1.00 EPHX2 (0.57) EPHX2FAAHHRH1PARP10ADRB2
SCHEMBL17123795 0.91 EPHX2 (0.54) EPHX2FAAHPARP10ADRB2
SCHEMBL16242402 0.91 EPHX2 (0.58) EPHX2FAAHPARP10ADRB2
SCHEMBL5722064 0.89 EPHX2 (0.50) EPHX2FAAHADRB2
SCHEMBL1065749 0.89 EPHX2 (0.50) EPHX2FAAHPARP10ADRB2
SCHEMBL15574818 0.89 EPHX2 (0.50) EPHX2FAAHPARP10ADRB2
SCHEMBL1065750 0.89 EPHX2 (0.50) EPHX2FAAHPARP10ADRB2
SCHEMBL5722066 0.89 EPHX2 (0.50) EPHX2FAAH
SCHEMBL9774780 0.89 EPHX2 (0.54) EPHX2FAAHADRB2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088796-A Method for synthesizing beta-trifluoromethylthioketone derivative by ring opening of cyclopropyl alcohol derivative 天津师范大学 2023-11-21 CN disclosed
US-9241487-B2 Pyrimidine derivatives and use thereof as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9095136-B2 2-IODO imidazole-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2609088-B1 5-IODO-TRIAZOLE DERIVATIVES BAYER IP GMBH (DE) 2015-04-29 EP disclosed
US-8969248-B2 5-iodotriazole derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-03 US disclosed
US-20140336232-A1 2-IODO IMIDAZOLE-DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-13 US disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 US disclosed
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
EP-2646418-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-10-09 EP disclosed
EP-2609088-A1 5-IODO-TRIAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-07-03 EP disclosed
US-20120220638-A1 5-Iodotriazole derivatives BAYER CROPSCIENCE AG (DE) 2012-08-30 US disclosed
WO-2012072547-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-06-07 WO disclosed
WO-2012025506-A1 5-IODO-TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-03-01 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 (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-20140336232-A1 2-IODO IMIDAZOLE-DERIVATIVES CIP2A, ING2, AZI2 EPHX2 3537/4885FAAH 3880/4885HRH1 3726/4885
US-20140031373-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS PESTICIDES TYMP, TYMS, UMPS EPHX2 710/4885FAAH 3329/4885HRH1 3187/4885
US-20120220638-A1 5-Iodotriazole derivatives INMT, IGFBP5, HDHD5 EPHX2 3432/4885FAAH 3752/4885HRH1 4518/4885
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB EPHX2 1398/4885FAAH 317/4885HRH1 1291/4885

“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.