SCHEMBL5952017

SCHEMBL5952017

Cc1ccc(-c2c(C)ccc3c2CC(C)C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.53
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
PDE9A O76083 3/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5952162 0.88 ACHE (0.57) ACHEMAOAMAOBBRD4ALDH1A1
SCHEMBL5951545 0.78 ACHE (0.65) ACHEMAOAMAOBMEN1KMT2A
SCHEMBL19313332 0.77 ACHE (0.48) ACHEMAOAMAOBPDE9AALDH1A1
SCHEMBL7699645 0.76 ACHE (0.62) ACHEMAOAMAOBMEN1KMT2A
SCHEMBL30834280 0.76 ACHE (0.62) ACHEMAOAMAOBMEN1KMT2A
SCHEMBL5951073 0.75 ACHE (0.49) ACHEMAOAMAOBBRD4ALDH1A1
SCHEMBL5952480 0.74 ACHE (0.56) ACHEMAOAMAOBBRD4
SCHEMBL5952638 0.74 ACHE (0.51) ACHEMAOAMAOBKDM4EALDH1A1
SCHEMBL1454366 0.73 ACHE (0.59) ACHEMAOAMAOB
SCHEMBL5952726 0.73 ACHE (0.59) ACHEMAOAMAOB

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
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885MAOA 498/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885MAOB 403/4885

“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.