SCHEMBL5952233

SCHEMBL5952233

CCOB(O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 3/20 0.41
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
RAB9A P51151 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
UGT2B7 P16662 1/20 0.35
AGXT P21549 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 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
SCHEMBL14983446 0.81 CA1 (0.48) CA1CA2CYP1A2CYP2A6TDP1
SCHEMBL21076143 0.79 CA1 (0.61) CA1CA2CYP1A2CYP2A6TDP1
SCHEMBL19558489 0.79 PRMT3 (0.39)
SCHEMBL22635041 0.79 CA1 (0.65) CA1CA2CYP1A2CYP2A6TDP1
SCHEMBL5951121 0.78 CA1 (0.50) CA1CA2CYP1A2CYP2A6TDP1
Ethylene Glycol SCHEMBL28428115 0.78 CA1 (0.46) CA1CA2CYP1A2CYP2A6TDP1
SCHEMBL4965705 0.77 CA1 (0.63) CA1CA2CYP1A2CYP2A6TDP1
SCHEMBL1722636 0.77 PCSK9 (0.45) CA1CA2CYP1A2TDP1MAPK1
SCHEMBL14983488 0.76 CA1 (0.42) CA1CA2CYP1A2CYP2A6TDP1
SCHEMBL28182973 0.76 CA1 (0.61) CA1CA2CYP1A2CYP2A6TDP1

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 CA1 3547/4885CA2 4329/4885CYP1A2 1/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA1 3105/4885CA2 4267/4885CYP1A2 1/4885

“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.