SCHEMBL1650397

SCHEMBL1650397

Nc1ccccc1OB(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ORAI1 Q96D31 3/20 0.39
ORAI2 Q96SN7 3/20 0.39
ORAI3 Q9BRQ5 3/20 0.39
TRPV6 Q9H1D0 3/20 0.39
ENPP2 Q13822 3/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL4181226 0.79 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1ORAI1
SCHEMBL29365322 0.79 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1ORAI1
SCHEMBL1629992 0.79 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1ORAI1
SCHEMBL28755480 0.78 ENPP2 (0.34) ALDH1A1ORAI1ORAI2ORAI3TRPV6
SCHEMBL3228199 0.78 CA2 (0.45) ALDH1A1TDP1ORAI1ORAI2ORAI3
SCHEMBL28930064 0.77 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1ORAI1
Hydrochloric Acid SCHEMBL28776334 0.77 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1ORAI1
SCHEMBL28665189 0.77 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1ORAI1
SCHEMBL28678398 0.77 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1ORAI1
SCHEMBL969625 0.76 ENPP2 (0.39) ALDH1A1TDP1ORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680306-B2 Complexes and method for synthesis of group 6 organometallics, and use thereof in an olefin metathesis method IFP Energies Nouvelles (FR) 2014-03-25 US claimed
US-20110098496-A1 NOVEL COMPLEXES AND METHOD FOR SYNTHESIS OF GROUP 6 ORGANOMETALLICS, AND USE THEREOF IN AN OLEFIN METATHESIS METHOD IFP Energies Nouvelles (FR) 2011-04-28 US claimed
US-8680306-B2 Complexes and method for synthesis of group 6 organometallics, and use thereof in an olefin metathesis method IFP Energies Nouvelles (FR) 2014-03-25 US disclosed
US-20110098496-A1 NOVEL COMPLEXES AND METHOD FOR SYNTHESIS OF GROUP 6 ORGANOMETALLICS, AND USE THEREOF IN AN OLEFIN METATHESIS METHOD IFP Energies Nouvelles (FR) 2011-04-28 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 (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-20110098496-A1 NOVEL COMPLEXES AND METHOD FOR SYNTHESIS OF GROUP 6 ORGANOMETALLICS, AND USE THEREOF IN AN OLEFIN METATHESIS METHOD BHMT2, BHMT, TST ALDH1A1 2006/4885ADRA2B 4846/4885PTGS1 3070/4885

“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.