SCHEMBL5951444

SCHEMBL5951444

CC1Cc2cccc(-c3cccn3C)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.50
HTR1A P08908 3/20 0.47
HTR7 P34969 2/20 0.47
ABCB1 P08183 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 2/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5953393 0.81 ACHE (0.55) ACHEHTR1AHTR7MEN1MAPT
SCHEMBL5952181 0.76 ACHE (0.46) ACHEABCB1MAOAMAOBDRD2
SCHEMBL5952275 0.75 ACHE (0.49) ACHEHTR1AHTR7ABCB1MAOA
SCHEMBL5509273 0.75 ACHE (0.61) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951296 0.74 ACHE (0.59) ACHEHTR1AABCB1MAOAMAOB
SCHEMBL5952103 0.74 ACHE (0.59) ACHEHTR1AABCB1MAOAMAOB
SCHEMBL5951689 0.73 ACHE (0.57) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5952527 0.73 ACHE (0.57) ACHEHTR1AHTR7MAOAMAOB
SCHEMBL5951728 0.73 ACHE (0.57) ACHEHTR1AABCB1MAOAMAOB
SCHEMBL5951841 0.73 ACHE (0.53) ACHEHTR1AHTR7ABCB1MAOA

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.