SCHEMBL5951802

SCHEMBL5951802

CC1Cc2cccc(-c3ncccn3)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.53
ABCB1 P08183 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
STAT3 P40763 1/20 0.37
BRD4 O60885 1/20 0.36
CYP19A1 P11511 1/20 0.36
METAP1 P53582 1/20 0.36
TSHR P16473 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
SCHEMBL5951903 0.85 ACHE (0.54) ACHEABCB1MAOABRD4
SCHEMBL5952482 0.80 ACHE (0.51) ACHEMAOAMAOBCYP19A1
SCHEMBL5951953 0.79 ACHE (0.46) ACHEABCB1MAOAMAOBSTAT3
SCHEMBL5952181 0.79 ACHE (0.46) ACHEABCB1MAOAMAOBBRD4
SCHEMBL5952059 0.79 ACHE (0.46) ACHEABCB1MAOAMAOBBRD4
SCHEMBL5509273 0.78 ACHE (0.61) ACHEMAOAMAOBBRD4TSHR
SCHEMBL5952414 0.78 ACHE (0.60) ACHEBRD4CYP19A1METAP1
SCHEMBL5951512 0.77 CYP11B1 (0.50) ACHEMAOACYP19A1TSHR
SCHEMBL5951296 0.76 ACHE (0.59) ACHEABCB1MAOAMAOBSTAT3
SCHEMBL5952103 0.76 ACHE (0.59) ACHEABCB1MAOAMAOBSTAT3

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 839/4885ABCB1 1146/4885MAOA 498/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ABCB1 1132/4885MAOA 564/4885

“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.