SCHEMBL23925845

SCHEMBL23925845

C=C(CCO)c1c(C)c(CC)c(-c2ccccc2)c(C(=O)OCC)c1CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
GRM6 O15303 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL23941182 0.80 MAPT (0.56) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL23940769 0.77 MAPT (0.56) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL23940967 0.77 ALDH1A1 (0.50) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL23926181 0.71 MAPT (0.55) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL25144993 0.71 MAPT (0.51) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL28392917 0.70 ALDH1A1 (0.44) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL23940776 0.70 MAPT (0.50) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL23940768 0.70 MAPT (0.50) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL18781917 0.68 MAPT (0.65) ADORA3MAPTALDH1A1HPGDLMNA
SCHEMBL9479879 0.68 MAPT (0.65) ADORA3MAPTALDH1A1HPGDLMNA

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 disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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 ADORA3 2216/4885MAPT 4814/4885ALDH1A1 88/4885

“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.