SCHEMBL5951189

SCHEMBL5951189

CCCC1Cc2cccc(Br)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.39
GRM2 Q14416 3/20 0.37
METAP1 P53582 2/20 0.36
PDE7A Q13946 2/20 0.35
ACHE P22303 2/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL5952655 0.87 METAP1 (0.37) HSP90AB1METAP1PDE7AACHEHTR2A
SCHEMBL5952581 0.81 GRM2 (0.41) HSP90AB1GRM2METAP1ACHEMTNR1A
SCHEMBL5951415 0.81 CYBB (0.36) METAP1ACHEMAOAMAOB
SCHEMBL5953020 0.78 METAP1 (0.42) HSP90AB1METAP1ACHEHTR1ADRD2
SCHEMBL15016533 0.76 ALOX15 (0.39)
SCHEMBL5951264 0.76 PDE9A (0.38) HSP90AB1GRM2METAP1ACHEHTR1A
SCHEMBL1582584 0.75 METAP1 (0.41) HSP90AB1METAP1PDE7AACHEHTR1A
SCHEMBL5951495 0.75 ACHE (0.52) ACHEMAOAMAOB
SCHEMBL5953305 0.75 HTR7 (0.44) HSP90AB1METAP1ACHEMTNR1AMTNR1B
SCHEMBL9324677 0.73 METAP1 (0.63) METAP1ACHEHTR1ADRD2HTR2A

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 HSP90AB1 2881/4885GRM2 3431/4885METAP1 4201/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HSP90AB1 2643/4885GRM2 3240/4885METAP1 4035/4885

“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.