SCHEMBL29657191

SCHEMBL29657191

C=CCOc1cccc2c1N(C)C(P(=O)(OC)OC)C=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LIG1 P18858 1/20 0.36
HTR1A P08908 3/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
TXNRD1 Q16881 1/20 0.30
TXNRD3 Q86VQ6 1/20 0.30
TXNRD2 Q9NNW7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL23356605 0.87 LIG1 (0.40) ADRA2AADRA2BADRA2CLIG1HTR1A
SCHEMBL29656830 0.83 MGLL (0.33) HTR1APOLBMAPT
SCHEMBL29657250 0.76
SCHEMBL29657144 0.75 CA12 (0.30)
SCHEMBL29657256 0.71 TDP1 (0.34) TSHRHSD17B10MAPTALDH1A1CYP1A2
SCHEMBL23356603 0.70 SRC (0.34) HTR1ACYP3A4HPGDMAPK1HSD17B10
SCHEMBL29657186 0.69 P2RX4 (0.38) CYP3A4TSHRMAPK1KDM4EMAPT
SCHEMBL29657244 0.63
SCHEMBL29657246 0.61 SMN1; SMN2 (0.39) CYP3A4TSHRMAPK1NPC1MAPT
SCHEMBL1628363 0.61 TSHR (0.50) ADRA2AADRA2BADRA2CLIG1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-29 US claimed
US-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-03-29 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-11286240-B2 Catalyst bound alpha radical and synthesis of OXO compounds using the same CBR1, POR, CAT ADRA2A 906/4885ADRA2B 1323/4885ADRA2C 1211/4885

“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.