SCHEMBL5952587

SCHEMBL5952587

CC1Cc2c(cccc2-c2ccc(C(=O)C(C)(C)C)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
CREBBP Q92793 9/20 0.36
ALDH1A1 P00352 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 6/20 0.35
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 1/20 0.31
KDR P35968 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL5951242 0.85 ACHE (0.54) ACHECREBBPBRD4MAPT
SCHEMBL5952261 0.82 ACHE (0.44) ACHECREBBPALDH1A1HBBHSD17B10
SCHEMBL5951397 0.81 ACHE (0.55) ACHEALDH1A1
SCHEMBL5952071 0.80 ACHE (0.55) ACHECREBBPALDH1A1BRD4
SCHEMBL5952061 0.80 ACHE (0.58) ACHE
SCHEMBL5952058 0.78 ACHE (0.60) ACHECREBBPBRD4
SCHEMBL5951545 0.78 ACHE (0.65) ACHEALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL3066323 0.78 ACHE (0.64) ACHECREBBPBRD4
SCHEMBL5952600 0.77 ACHE (0.59) ACHE
SCHEMBL5952789 0.77 ACHE (0.58) ACHECREBBPBRD4KDR

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 839/4885CREBBP 2331/4885ALDH1A1 317/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CREBBP 2466/4885ALDH1A1 198/4885

“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.