SCHEMBL5952898

SCHEMBL5952898

CC1Cc2c(cccc2-c2cc(O)cc(O)c2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.57
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
CYP19A1 P11511 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 2/20 0.34
STAT3 P40763 1/20 0.34
MAOB P27338 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL5951555 0.89 ACHE (0.55) ACHEMAOAMAOB
SCHEMBL5952061 0.86 ACHE (0.58) ACHEABL1ABCB1BCRCYP19A1
SCHEMBL5951456 0.83 ACHE (0.63) ACHE
SCHEMBL5952357 0.81 ACHE (0.57) ACHE
SCHEMBL5951098 0.81 ACHE (0.57) ACHE
SCHEMBL5952536 0.81 ACHE (0.57) ACHECYP19A1
SCHEMBL3066323 0.80 ACHE (0.64) ACHE
SCHEMBL13115609 0.80 ACHE (0.68) ACHECYP19A1MAOASTAT3MAOB
SCHEMBL5952130 0.79 ACHE (0.63) ACHEABL1ABCB1BCRCYP19A1
SCHEMBL5953179 0.79 ACHE (0.54) ACHECYP19A1

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 839/4885PIK3CD 2188/4885PIK3CA 2040/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885PIK3CD 2279/4885PIK3CA 2069/4885

“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.