SCHEMBL5951589

SCHEMBL5951589

CC(=O)Oc1cccc2c1C(=O)C(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
ACHE P22303 7/20 0.48
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
NSD2 O96028 1/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
PIM1 P11309 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
DRD1 P21728 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TTR P02766 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5953021 0.87 ABCB1 (0.50) ABCB1ACHEDRD2HTR2AMAOA
SCHEMBL5951938 0.84 ABCB1 (0.46) ABCB1ACHEDRD2HTR2AMAOA
SCHEMBL5952518 0.84 ABCB1 (0.46) ABCB1ACHEDRD2HTR2AMAOA
SCHEMBL5951844 0.83 ABCB1 (0.47) ABCB1ACHEDRD2HTR2AMAOA
SCHEMBL5952081 0.82 ABCB1 (0.44) ABCB1ACHEDRD2HTR2AMAOA
SCHEMBL7101088 0.82 ACHE (0.64) ABCB1ACHEDRD2HTR2AHTR1A
SCHEMBL13925640 0.80 MAOA (0.63) DRD2HTR2AMAOAMAOBMAPK1
SCHEMBL5951741 0.79 ACHE (0.49) ABCB1ACHEMAOAMAOB
SCHEMBL5951967 0.79 ABCB1 (0.44) ABCB1ACHEALDH1A1MEN1HTT
SCHEMBL5952755 0.78 ACHE (0.67) ACHEDRD2HTR2ANSD2HK1

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 ABCB1 1146/4885ACHE 839/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ABCB1 1132/4885ACHE 820/4885DRD2 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.