SCHEMBL5952380

SCHEMBL5952380

COC(=O)Oc1cccc2c1CC(C)C2=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.68
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AADAT Q8N5Z0 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
SCHEMBL5951706 0.86 ACHE (0.60) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5952755 0.85 ACHE (0.67) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5951821 0.85 ACHE (0.58) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL15746282 0.81 ACHE (1.00) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5952866 0.80 ACHE (0.53) ACHEPOLBHSD17B10
SCHEMBL5952549 0.80 ACHE (0.60) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5953021 0.78 ABCB1 (0.50) ACHEKDM4EHPGDHSD17B10MTNR1A
SCHEMBL5951717 0.78 ACHE (0.57) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL7387396 0.77 ACHE (0.63) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5952092 0.76 ACHE (0.82) ACHEKDM4ELMNAPOLBMAPT

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 839/4885KDM4E 2127/4885LMNA 1082/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885KDM4E 2338/4885LMNA 1251/4885

“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.