SCHEMBL5953020

SCHEMBL5953020

CCCC1Cc2cccc(-c3ccccc3)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.42
HTR7 P34969 5/20 0.41
ACHE P22303 5/20 0.41
HTR1A P08908 4/20 0.41
DRD2 P14416 3/20 0.41
HSP90AB1 P08238 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL5951441 0.92 ACHE (0.45) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL5951264 0.89 PDE9A (0.38) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL5951906 0.88 METAP1 (0.44) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL8165742 0.87 BRD4 (0.36) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL5951772 0.85 CREBBP (0.40) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL8161364 0.83 ACHE (0.39) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL5953305 0.82 HTR7 (0.44) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL5951450 0.82 METAP1 (0.41) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL5952908 0.81 ACHE (0.41) METAP1HTR7ACHEHTR1ADRD2
SCHEMBL9324677 0.80 METAP1 (0.63) METAP1HTR7ACHEHTR1ADRD2

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 METAP1 4201/4885HTR7 1861/4885ACHE 839/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 METAP1 4035/4885HTR7 2049/4885ACHE 820/4885

“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.