SCHEMBL23925952

SCHEMBL23925952

Cc1cc2c(cc1CCC(=O)O)CC(=O)O2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
SLC6A3 Q01959 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30970296 0.76 NPSR1 (0.67) NPSR1SLC6A3RXRARXRBRXRG
SCHEMBL9146721 0.76 NPSR1 (0.67) NPSR1SLC6A3RXRARXRBRXRG
SCHEMBL30970309 0.75 NPSR1 (0.65) NPSR1RXRARXRBRXRGL3MBTL1
SCHEMBL8824073 0.73 MAOA (0.37) NPSR1MAOAMAOB
SCHEMBL7502774 0.72 FFAR1 (0.38) MAOAMAOBRXRARXRBRXRG
SCHEMBL10937131 0.71 NPSR1 (0.91) NPSR1SLC6A3RXRARXRBRXRG
SCHEMBL23925823 0.71 NPSR1 (0.41) NPSR1SLC6A3RXRARXRBRXRG
SCHEMBL23925701 0.68 NPSR1 (0.38) NPSR1RXRARXRBRXRG
SCHEMBL6832877 0.67 ALDH2 (0.51) MAOB
SCHEMBL23925875 0.67 MAOB (0.42) MAOAMAOB

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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 NPSR1 1501/4885MAOA 142/4885MAOB 52/4885

“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.