SCHEMBL5952265

SCHEMBL5952265

CC1Cc2ccc(-c3ccc4ccccc4c3)cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.56
GSTP1 P09211 1/20 0.46
ALOX5 P09917 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ACMSD Q8TDX5 1/20 0.39
PTGER3 P43115 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL7751148 0.80 ACHE (0.61) ACHE
SCHEMBL5951118 0.78 ACHE (0.51) ACHEGSTP1HDAC4HDAC2HDAC8
SCHEMBL3154249 0.78 ACHE (0.54) ACHEGSTP1ALOX5CA1CA2
SCHEMBL9141633 0.76 ACHE (0.56) ACHEALOX5
SCHEMBL2906268 0.74 PKM (0.55) MAPT
SCHEMBL8990237 0.73 ACHE (0.61) ACHEMAPT
SCHEMBL354925 0.73 ACHE (1.00) ACHE
SCHEMBL4938272 0.73 ACHE (1.00) ACHE
SCHEMBL9752693 0.73 ACHE (1.00) ACHE
SCHEMBL13866434 0.73 ACHE (1.00) ACHE

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 839/4885GSTP1 1262/4885ALOX5 3389/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885GSTP1 1323/4885ALOX5 3600/4885

“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.