SCHEMBL5953322

SCHEMBL5953322

CCC1Cc2cccc(-c3cccc4ccccc34)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
METAP1 P53582 4/20 0.41
HTR1A P08908 2/20 0.41
ACHE P22303 7/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.37
DNMT1 P26358 1/20 0.36
CYP19A1 P11511 2/20 0.36
HSP90AB1 P08238 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
SCHEMBL5953305 0.89 HTR7 (0.44) HTR7METAP1HTR1AACHEMEN1
SCHEMBL5953102 0.88 METAP1 (0.39) HTR7METAP1HTR1AACHEMEN1
SCHEMBL5951507 0.87 ACHE (0.43) HTR7METAP1HTR1AACHEMEN1
SCHEMBL5951687 0.85 HTR7 (0.39) HTR7METAP1HTR1AACHEMEN1
SCHEMBL8161364 0.82 ACHE (0.39) HTR7METAP1HTR1AACHE
SCHEMBL3078503 0.82 ACHE (0.48) HTR7METAP1HTR1AACHE
SCHEMBL5951906 0.81 METAP1 (0.44) HTR7METAP1HTR1AACHECYP19A1
SCHEMBL5951252 0.81 ACHE (0.56) HTR7HTR1AACHEMEN1ALDH1A1
SCHEMBL5951960 0.80 HTR7 (0.44) HTR7METAP1HTR1AACHEMEN1
SCHEMBL8170685 0.79 HTR2C (0.38) ALDH1A1MAPTHPGDBRD4CYP19A1

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 HTR7 1861/4885METAP1 4201/4885HTR1A 2570/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR7 2049/4885METAP1 4035/4885HTR1A 2132/4885

“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.