SCHEMBL5952599

SCHEMBL5952599

COc1cc(-c2ccccc2)c2c(c1-c1cccc3ccccc13)CC(C)C2=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.49
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX5 P09917 1/20 0.39
PDGFRB P09619 1/20 0.37
HK2 P52789 1/20 0.37
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5952681 0.91 ACHE (0.49) ACHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5951371 0.79 ACHE (0.50) ACHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5953118 0.77 ACHE (0.49) ACHESMN1; SMN2KDM4ENPSR1
SCHEMBL5953339 0.76 ACHE (0.68) ACHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5952055 0.73 ACHE (0.68) ACHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5952961 0.72 ACHE (0.51) ACHEKDM4EALDH1A1HK2
SCHEMBL28412514 0.71 SMN1; SMN2 (0.55) ACHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5951269 0.71 ACHE (0.43) ACHE
SCHEMBL3150632 0.70 ACHE (0.58) ACHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15746282 0.68 ACHE (1.00) ACHEMAPTKDM4EMEN1KMT2A

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 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 (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 839/4885MAPT 3693/4885RAB9A 3183/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAPT 3748/4885RAB9A 3329/4885

“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.