SCHEMBL21875855

SCHEMBL21875855

COc1cccc(COP(=O)(OCc2cccc(OC)c2)OCc2cccc(OC)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
AGXT P21549 2/20 0.61
MAOB P27338 7/20 0.53
TAAR1 Q96RJ0 3/20 0.51
CMA1 P23946 1/20 0.51
MMP13 P45452 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL4248141 0.94 IDO1 (0.54) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL21875857 0.86 IDO1 (0.57) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL28443329 0.82 IDO1 (0.53) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL29648388 0.81 TSHR (0.51) IDO1AGXTMAOBTAAR1MMP13
SCHEMBL16996790 0.81 IDO1 (0.51) IDO1AGXTMAOBMMP13HDAC1
SCHEMBL6828300 0.79 CETP (0.59) IDO1AGXT
SCHEMBL31264 0.79 IDO1 (0.71) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL3768643 0.79 IDO1 (0.71) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL4801868 0.77 IDO1 (0.50) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL6205291 0.76 IDO1 (0.62) IDO1AGXTMAOBTAAR1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325929-B2 Phosphorus-containing compound and preparation and use thereof VIVAVISIONSHANGHAILTD (CN) 2022-05-10 US disclosed
EP-3647315-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF Vivavisionshanghailtd (CN) 2020-05-06 EP disclosed
US-20200131206-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISIONSHANGHAILTD (CN) 2020-04-30 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-11325929-B2 Phosphorus-containing compound and preparation and use thereof INPP5D, CXCL12, INPPL1 IDO1 1533/4885AGXT 4375/4885MAOB 4184/4885
US-20200131206-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF INPP5D, CXCL12, INPPL1 IDO1 1533/4885AGXT 4375/4885MAOB 4184/4885

“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.