SCHEMBL5952596

SCHEMBL5952596

CC(C)C1Cc2cccc(-c3ccccc3)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
DRD2 P14416 2/20 0.46
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ACHE P22303 2/20 0.40
ANPEP P15144 2/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL4467673 0.85 CREBBP (0.42) HTR1AHTR7DRD2PRNPPPARG
SCHEMBL5952199 0.81 HTR7 (0.41) HTR1AHTR7PRNPPPARGNCOR2
SCHEMBL5951085 0.80 ALDH1A1 (0.41) HTR7PRNPPPARGNCOR2ACHE
SCHEMBL5509273 0.80 ACHE (0.61) HTR1AHTR7DRD2ACHEANPEP
SCHEMBL4402124 0.79 ACHE (0.58) HTR1AHTR7DRD2PRNPPPARG
SCHEMBL4611650 0.79 ACHE (0.58) HTR1AHTR7DRD2PRNPPPARG
SCHEMBL5951450 0.78 METAP1 (0.41) HTR1AHTR7DRD2ACHE
SCHEMBL5952371 0.78 PARP10 (0.41) HTR1AHTR7ACHEANPEPIL1RN
SCHEMBL12225987 0.78 HTR2A (0.43) HTR1AHTR7DRD2PRNPPPARG
SCHEMBL5952576 0.77 MET (0.39) MAPT

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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 HTR1A 2570/4885HTR7 1861/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885DRD2 1860/4885

“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.