SCHEMBL5951772

SCHEMBL5951772

CCCC1Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
ACHE P22303 4/20 0.38
DRD2 P14416 3/20 0.36
METAP1 P53582 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
PARP1 P09874 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GRM2 Q14416 3/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
CHRM3 P20309 1/20 0.32

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
SCHEMBL8165742 0.93 BRD4 (0.36) CREBBPBRD4ACHEDRD2METAP1
SCHEMBL5952782 0.93 ACHE (0.41) CREBBPBRD4ACHEDRD2METAP1
SCHEMBL5953291 0.90 CREBBP (0.42) CREBBPBRD4ACHEDRD2METAP1
SCHEMBL2387022 0.86 CREBBP (0.41) CREBBPBRD4ACHEDRD2METAP1
SCHEMBL5951264 0.86 PDE9A (0.38) ACHEDRD2METAP1HTR2AHTR2C
SCHEMBL5953020 0.85 METAP1 (0.42) ACHEDRD2METAP1HTR2AHTR2C
SCHEMBL14331643 0.81 ACHE (0.44) CREBBPBRD4ACHEDRD2HTR2A
SCHEMBL2386773 0.81 ACHE (0.44) CREBBPBRD4ACHEDRD2HTR2A
SCHEMBL5689519 0.80 ACHE (0.49) CREBBPBRD4ACHEDRD2HTR2A
SCHEMBL2386840 0.79 CREBBP (0.39) CREBBPBRD4DRD2METAP1HTR2A

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