SCHEMBL5239507

SCHEMBL5239507

COC(=O)c1c(C)n(C)c2ccc(OC)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 11/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPK1 P28482 3/20 0.62
HSD17B10 Q99714 3/20 0.62
HTT P42858 2/20 0.62
PKM P14618 2/20 0.62
HPGD P15428 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 3/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 2/20 0.58
NPC1 O15118 1/20 0.57
KDM4E B2RXH2 3/20 0.56

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
SCHEMBL30875172 0.87 SMN1; SMN2 (0.76) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9557007 0.87 SMN1; SMN2 (0.76) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL3384928 0.87 KDM4E (0.71) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9198378 0.87 HTT (0.76) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9959683 0.85 MEN1 (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL5234885 0.82 SMN1; SMN2 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL5238204 0.82 SMN1; SMN2 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9095172 0.82 L3MBTL1 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL9093397 0.81 ALOX5 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL8648192 0.79 AKR1C3 (0.68) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2006-12-14 US disclosed
EP-1603914-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004081010-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-23 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-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR4, HTR3C ALDH1A1 1159/4885CYP1A2 137/4885CYP2D6 64/4885

“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.