SCHEMBL2006769

SCHEMBL2006769

COCN(Cc1ccc(OC)cc1OC)C[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
APLNR P35414 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DHFR P00374 1/20 0.43
SLC6A4 P31645 2/20 0.40
GAA P10253 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL1796186 0.77 APLNR (0.44) POLBAPLNRALDH1A1KDM4EHTT
SCHEMBL13168247 0.75 ALDH1A1 (0.60) POLBAPLNRALDH1A1KDM4ETSHR
SCHEMBL24562736 0.75 ALDH1A1 (0.45) POLBAPLNRALDH1A1KDM4ETSHR
SCHEMBL7602457 0.73 SLC6A4 (0.65) APLNRALDH1A1KDM4ETSHRMEN1
SCHEMBL7338769 0.72 APLNR (0.58) POLBAPLNRALDH1A1KDM4ETSHR
SCHEMBL11477519 0.70 APLNR (0.66) APLNRALDH1A1CA2CA12CA1
SCHEMBL23378290 0.70 APLNR (0.45) POLBAPLNRALDH1A1KDM4ETSHR
SCHEMBL17919505 0.70 ALDH1A1 (0.54) POLBAPLNRALDH1A1KDM4ETSHR
SCHEMBL5780504 0.70 MAPT (0.43) ALDH1A1KDM4EMEN1KMT2ASLC6A4
SCHEMBL12522848 0.69 APLNR (0.54) POLBAPLNRALDH1A1KDM4ETSHR

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
EP-2240492-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS ORGANON NV (NL) 2011-10-05 EP disclosed
US-20110166363-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-07-07 US disclosed
US-7964739-B2 Through a stilbene derivative, to a pyrrolidine intermediate, followed by cyclization; asenapine is an antipsychotic agent; industrial scale N.V. ORGANON (NL) 2011-06-21 US disclosed
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON 2009-09-10 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 (2 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-20110166363-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT POLB 1214/4885APLNR 651/4885ALDH1A1 600/4885
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT POLB 1214/4885APLNR 651/4885ALDH1A1 600/4885

“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.