SCHEMBL5951748

SCHEMBL5951748

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
BRD4 O60885 2/20 0.49
CREBBP Q92793 2/20 0.49
MAPT P10636 1/20 0.37
PGR P06401 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
HTR1A P08908 5/20 0.35
HTR7 P34969 5/20 0.35
AR P10275 1/20 0.35
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
METAP1 P53582 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
SCHEMBL5951575 0.85 ACHE (0.53) ACHEBRD4CREBBPHTR1AHTR7
SCHEMBL5951545 0.83 ACHE (0.65) ACHEMAPT
SCHEMBL5952058 0.83 ACHE (0.60) ACHEBRD4CREBBPHTR1AHTR7
SCHEMBL3066323 0.82 ACHE (0.64) ACHEBRD4CREBBPHTR1AHTR7
SCHEMBL5952789 0.81 ACHE (0.58) ACHEBRD4CREBBP
SCHEMBL5952600 0.81 ACHE (0.59) ACHEHTR1AHTR7
SCHEMBL5952785 0.81 ACHE (0.58) ACHEHTR1AHTR7
SCHEMBL5953275 0.81 ACHE (0.58) ACHEMAPT
SCHEMBL5952061 0.81 ACHE (0.58) ACHE
SCHEMBL5951668 0.79 ACHE (0.49) ACHEBRD4CREBBPMAPTDRD2

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.