SCHEMBL5953220

SCHEMBL5953220

CC1Cc2c(cccc2-c2ncco2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
ADRA1A P35348 5/20 0.43
ADRA1D P25100 3/20 0.43
BRD4 O60885 2/20 0.42
ADRA2A P08913 2/20 0.39
ADRA1B P35368 1/20 0.36
GRM5 P41594 2/20 0.36
GRM1 Q13255 2/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
USP19 O94966 1/20 0.34
CYP19A1 P11511 2/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL5952059 0.81 ACHE (0.46) ACHEGABRA1GABRG2GABRB3GABRA5
SCHEMBL5952414 0.77 ACHE (0.60) ACHEBRD4CYP19A1
SCHEMBL5953101 0.75 ACHE (0.57) ACHEBRD4
SCHEMBL5951567 0.74 ACHE (0.55) ACHEGABRA1GABRG2GABRB3GABRA5
SCHEMBL5952197 0.73 ACHE (0.58) ACHECYP19A1
SCHEMBL8845677 0.72 ACHE (0.62) ACHECYP19A1
SCHEMBL5952509 0.71 ACHE (0.53) ACHEGABRA1GABRG2GABRB3GABRA5
SCHEMBL5951527 0.71 ACHE (0.55) ACHEADRA1AADRA1DADRA1BGRM5
SCHEMBL5951944 0.70 ACHE (0.55) ACHEADRA1AADRA1DBRD4ADRA1B
SCHEMBL3066323 0.70 ACHE (0.64) ACHEBRD4HCRTR1HCRTR2CREBBP

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 839/4885GABRA1 3842/4885GABRG2 3667/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885GABRA1 3774/4885GABRG2 3822/4885

“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.