SCHEMBL5951592

SCHEMBL5951592

CC1Cc2cccc(-c3c4ccccc4cc4ccccc34)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.53
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
CES1 P23141 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 1/20 0.36
ABCB1 P08183 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
SCHEMBL5951762 0.87 ACHE (0.51) ACHEHTR1AHTR7CES1MAOA
SCHEMBL5951252 0.85 ACHE (0.56) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951952 0.85 ACHE (0.49) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5952132 0.81 ACHE (0.54) ACHEHTR1AHTR7CES1
SCHEMBL5951118 0.79 ACHE (0.51) ACHEMAOAMAOBTSHR
SCHEMBL5951837 0.79 HTR1A (0.50) ACHEHTR1AHTR7
SCHEMBL1825039 0.79 ACHE (0.49) ACHECES1MAOAMAOB
SCHEMBL5509273 0.77 ACHE (0.61) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951644 0.77 ACHE (0.53) ACHECES1MAOAMAOBTSHR
SCHEMBL5952251 0.77 ACHE (0.51) ACHEHTR1AMAOAMAOBTSHR

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 839/4885HTR1A 2570/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR1A 2132/4885HTR7 2049/4885

“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.