SCHEMBL5951913

SCHEMBL5951913

Cc1ccc(-c2cccc3c2CC(C)C3=O)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.59
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
OPRK1 P41145 1/20 0.36
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRM5 P41594 2/20 0.34
GRM1 Q13255 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL5953104 0.79 ACHE (0.49) ACHEBRD4CREBBPKDM4EALDH1A1
SCHEMBL5953101 0.77 ACHE (0.57) ACHEBRD4KDM4EALDH1A1KMT2A
SCHEMBL30666460 0.75 ACHE (1.00) ACHECREBBPALDH1A1
SCHEMBL6936179 0.75 ACHE (1.00) ACHECREBBPALDH1A1
SCHEMBL5953229 0.74 BRD4 (0.53) ACHEBRD4CREBBPMEN1KMT2A
SCHEMBL5952316 0.74 ACHE (0.77) ACHEBRD4CSNK2A2CSNK2A1
SCHEMBL5951545 0.73 ACHE (0.65) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL5952702 0.73 ACHE (0.75) ACHEBRD4CREBBPMAPTCSNK2A2
SCHEMBL3066323 0.72 ACHE (0.64) ACHEBRD4CREBBP
SCHEMBL5951456 0.72 ACHE (0.63) ACHEBRD4CREBBPKDM4EALDH1A1

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

“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.