SCHEMBL5951741

SCHEMBL5951741

CC1Cc2cccc(OP(C)C)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.49
ABCB1 P08183 1/20 0.48
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
AADAT Q8N5Z0 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
SCHEMBL5951920 0.85 ABCB1 (0.47) ACHEABCB1MAOAMAOB
SCHEMBL5952504 0.84 ACHE (0.44) ACHEABCB1MAOAMAOB
SCHEMBL7101088 0.83 ACHE (0.64) ACHEABCB1
SCHEMBL5952900 0.79 ACHE (0.48) ACHEABCB1MAOAMAOB
SCHEMBL5951589 0.79 ABCB1 (0.50) ACHEABCB1MAOAMAOB
SCHEMBL5951611 0.78 ACHE (0.47) ACHEABCB1MAOAMAOB
SCHEMBL5951448 0.77 METAP2 (0.44) ACHEABCB1
SCHEMBL5953021 0.76 ABCB1 (0.50) ACHEABCB1MAOAMAOB
SCHEMBL5951777 0.76 ABCB1 (0.47) ACHEABCB1MAOAMAOB
SCHEMBL5952643 0.76 ACHE (0.51) ACHEABCB1AADAT

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 ACHE 839/4885ABCB1 1146/4885MAOA 498/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ABCB1 1132/4885MAOA 564/4885

“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.