SCHEMBL5952522

SCHEMBL5952522

CC1Cc2c(cccc2-c2cc3ccccc3s2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
CREBBP Q92793 1/20 0.52
ACHE P22303 4/20 0.50
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 2/20 0.42
APP P05067 2/20 0.40
PRKDC P78527 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CA12 O43570 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL5952594 0.82 BRD4 (0.50) BRD4CREBBPACHECA1CA9
SCHEMBL5952102 0.75 KDM4E (0.51) ACHEAPP
SCHEMBL5952466 0.74 ACHE (0.59) ACHECHRM2CHRM4CHRM5CHRM1
SCHEMBL3150632 0.74 ACHE (0.58) BRD4ACHESLC6A3
SCHEMBL3150892 0.73 ACHE (0.54) ACHEMAPK1
SCHEMBL3154249 0.73 ACHE (0.54) ACHECA1CA9CA2PRKDC
SCHEMBL5952132 0.73 ACHE (0.54) ACHE
SCHEMBL5952956 0.73 ACHE (0.57) ACHEMAPK1
SCHEMBL19133572 0.72 APP (0.57) BRD4CREBBPCA1CA9CA2
SCHEMBL3066323 0.71 ACHE (0.64) BRD4CREBBPACHE

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 BRD4 3097/4885CREBBP 2331/4885ACHE 839/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 BRD4 3045/4885CREBBP 2466/4885ACHE 820/4885

“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.