SCHEMBL6202478

SCHEMBL6202478

CCOc1cc2c(cc1OCC)C(=O)OC2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.67
ACHE P22303 1/20 0.51
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 9/20 0.44
MAOB P27338 9/20 0.44
MAPT P10636 6/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL20196823 0.84 CYP3A4 (0.51) CYP3A4ACHEKCNJ1KCNH2MAOA
Metameconine SCHEMBL800990 0.80 CYP3A4 (1.00) CYP3A4ACHEMAOAMAOBMAPT
Metameconine SCHEMBL30088952 0.80 CYP3A4 (1.00) CYP3A4ACHEMAOAMAOBMAPT
SCHEMBL10653511 0.76 CYP3A4 (0.41) CYP3A4ACHEKCNJ1KCNH2MAOA
SCHEMBL15680220 0.75 CYP3A4 (0.60) CYP3A4MAOAMAOBMAPTHTT
SCHEMBL1608882 0.75 CYP3A4 (0.65) CYP3A4MAPTHTTLMNAGAA
SCHEMBL13412837 0.74 CYP3A4 (0.63) CYP3A4KCNJ1KCNH2MAOAMAOB
SCHEMBL15119582 0.74 ACHE (0.47) CYP3A4ACHEMAPTLMNAALDH1A1
SCHEMBL16505233 0.73 CYP3A4 (0.50) CYP3A4MAOAMAOBMAPTGAA
SCHEMBL31083089 0.72 CYP3A4 (0.77) CYP3A4KCNJ1KCNH2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent LES LABORATOIRES SERVIER (FR) 2003-07-03 US disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP 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-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent IDO1, IDO2, AHR CYP3A4 390/4885ACHE 4241/4885KCNJ1 2275/4885

“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.