SCHEMBL5952997

SCHEMBL5952997

CC1Cc2c(OS(=O)(=O)c3ccccc3)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.60
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 2/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.41
ESR1 P03372 1/20 0.41
GAA P10253 1/20 0.41
ESR2 Q92731 1/20 0.41
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B3 P37058 1/20 0.39
PARL Q9H300 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5952110 0.89 ACHE (0.57) ACHEHTR6ALDH1A1MAPTKMT2A
SCHEMBL5952651 0.82 ACHE (0.67) ACHEMAPTKMT2AKDM4EMEN1
SCHEMBL5953547 0.81 ACHE (0.57) ACHEHTR6MAPTKMT2AKDM4E
SCHEMBL5952978 0.81 ACHE (0.60) ACHE
SCHEMBL5951357 0.80 ACHE (0.63) ACHEMAPTKDM4E
SCHEMBL5951448 0.80 METAP2 (0.44) ACHEL3MBTL1HTR6ALDH1A1MAPT
SCHEMBL5952366 0.76 ACHE (0.71) ACHEMAPTKDM4E
SCHEMBL15746282 0.76 ACHE (1.00) ACHEMAPTKMT2AKDM4EMEN1
SCHEMBL5951279 0.75 ACHE (0.50) ACHEALDH1A1
SCHEMBL5952092 0.74 ACHE (0.82) ACHEMAPTKDM4E

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 839/4885L3MBTL1 4883/4885HTR6 2193/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885L3MBTL1 4881/4885HTR6 2362/4885

“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.