SCHEMBL5953547

SCHEMBL5953547

CC1Cc2c(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.57
CYP19A1 P11511 1/20 0.33
MEN1 O00255 2/20 0.32
ESR1 P03372 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TCF4 P15884 1/20 0.31
CTNNB1 P35222 1/20 0.31
HTR6 P50406 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL5952997 0.81 ACHE (0.60) ACHEMEN1ESR1GAAKMT2A
SCHEMBL5953242 0.81 ABCB1 (0.42) ACHEMEN1ESR1GAAKMT2A
SCHEMBL5952651 0.80 ACHE (0.67) ACHECYP19A1MEN1KMT2AKDM4E
SCHEMBL5952110 0.79 ACHE (0.57) ACHEMEN1ESR1GAAKMT2A
SCHEMBL5952978 0.78 ACHE (0.60) ACHE
SCHEMBL5951279 0.78 ACHE (0.50) ACHE
SCHEMBL5951357 0.78 ACHE (0.63) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5951717 0.74 ACHE (0.57) ACHECYP19A1ESR1KMT2AESR2
SCHEMBL15746282 0.74 ACHE (1.00) ACHECYP19A1MEN1KMT2AKDM4E
SCHEMBL5953191 0.73 ACHE (0.53) ACHECA1CA2

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 839/4885CYP19A1 18/4885MEN1 718/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CYP19A1 17/4885MEN1 614/4885

“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.