SCHEMBL440122

SCHEMBL440122

COc1ccc(OC)c(S)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
THRB P10828 1/20 0.54
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
CYP3A4 P08684 1/20 0.48
IDO1 P14902 2/20 0.47
ADRA1A P35348 2/20 0.47
NFE2L2 Q16236 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HTT P42858 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
SCHEMBL29758335 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
Toluene SCHEMBL8772784 0.87 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1402481 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL13066221 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL27777905 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL29350371 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
1,2,4-Trimethoxybenzene SCHEMBL481491 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL1402590 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL9188740 0.76 ACHE (0.62) CA12CA1CA2CA7CA9
SCHEMBL32675289 0.76 CA12 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106833406-A A kind of high refractive index nano inorganic matter hydridization photovoltaic encapsulation material 杭州福斯特光伏材料股份有限公司 2017-06-13 CN claimed
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 US claimed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 EP claimed
EP-1511757-B1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV MEDISCH CENTRUM UTRECHT (NL) 2015-11-04 EP claimed
US-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2014-03-27 US claimed
EP-2691403-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG Life Science Institute Forschungslabor Und Biochemica-Vertrieb GmbH (DE) 2014-02-05 EP claimed
WO-2012130829-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2012-10-04 WO claimed
US-7906491-B2 Compounds for modulating the activity of exchange proteins directly activated by cAMP (Epacs) UNIVISITAIR MEDISCH CENTRUM UTRECHT (NL) 2011-03-15 US claimed
WO-2007006544-A2 CYCLIC ADENOSINE MONOPHOSPHATE COMPOUNDS FOR THE TREATMENT OF IMMUNE-RELATED DISORDERS VRIJE UNIVERSITEIT BRUSSEL (BE) 2007-01-18 WO claimed
CN-1260210-C 2,5-dimethoxy-4-ethyl benzaldehyde sulfide and preparation process and use thereof UNIV WUHAN (CN) 2006-06-21 CN claimed
CN-1228320-C 2,5-dimethoxy-4-ethyl sulfide-beta-nitrostyrolene and preparation process and use thereof UNIV WUHAN (CN) 2005-11-23 CN claimed
CN-1206214-C 2,5-dimethoxy phenylmercaptan and synthesis process and use thereof UNIV WUHAN (CN) 2005-06-15 CN claimed
CN-1193012-C 2,5-dimethoxy-4-ethyl phenethyl amine sulfide hydrochloride and preparation process and use thereof UNIV WUHAN (CN) 2005-03-16 CN claimed
EP-1511757-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) Kylix B.V. (NL) 2005-03-09 EP claimed
WO-2003104250-A1 NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) KYLIX, B. V. (NL) 2003-12-18 WO claimed
CN-1434030-A 2,5-dimethoxy ethyl phenyl sulfide and synthesis method and use thereof UNIV WUHAN (CN) 2003-08-06 CN claimed
CN-1434032-A 2,5-dimethoxy phenylmercaptan and synthesis process and use thereof UNIV WUHAN (CN) 2003-08-06 CN claimed
CN-1434029-A 2,5-dimethoxy-4-ethyl benzaldehyde sulfide and preparation process and use thereof UNIV WUHAN (CN) 2003-08-06 CN claimed
CN-1434031-A 2,5-dimethoxy-4-ethyl sulfide-beta-nitrostyrolene and preparation process and use thereof UNIV WUHAN (CN) 2003-08-06 CN claimed
CN-1434033-A 2,5-dimethoxy-4-ethyl phenethyl amine sulfide hydrochloride and preparation process and use thereof UNIV WUHAN (CN) 2003-08-06 CN 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 (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-20140088033-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES NT5C2, NT5E, ENPP3 CA12 2522/4885CA1 2453/4885CA2 1431/4885

“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.