SCHEMBL5951687

SCHEMBL5951687

CC(C)CC1Cc2cccc(-c3cccc4ccccc34)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.39
HTR1A P08908 2/20 0.39
METAP1 P53582 2/20 0.39
ACHE P22303 6/20 0.38
DNMT1 P26358 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
SLC25A5 P05141 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL5953322 0.85 HTR7 (0.43) HTR7HTR1AMETAP1ACHEDNMT1
SCHEMBL8158902 0.85 PPARG (0.37) HTR7HTR1AACHEMAPTPPARG
SCHEMBL5953305 0.83 HTR7 (0.44) HTR7HTR1AMETAP1ACHEDNMT1
SCHEMBL5951450 0.83 METAP1 (0.41) HTR7HTR1AMETAP1ACHESLC25A5
SCHEMBL5951597 0.82 MAPT (0.41) HTR7HTR1AMETAP1ACHEMAPT
SCHEMBL5951507 0.81 ACHE (0.43) HTR7HTR1AMETAP1ACHEMAPT
SCHEMBL5952199 0.80 HTR7 (0.41) HTR7HTR1AACHEDNMT1MAPT
SCHEMBL3078503 0.79 ACHE (0.48) HTR7HTR1AMETAP1ACHE
SCHEMBL5951252 0.78 ACHE (0.56) HTR7HTR1AACHEDNMT1MAPT
SCHEMBL5951415 0.76 CYBB (0.36) METAP1ACHE

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