SCHEMBL5951978

SCHEMBL5951978

Cc1cc2c(c(-c3ccccc3)c1)CC(C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.50
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
METAP2 P50579 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
CYP19A1 P11511 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL3159279 0.83 ACHE (0.43) ACHEMAOBMAOATSHRMETAP2
SCHEMBL5952026 0.82 ACHE (0.52) ACHEMAOBALDH1A1ADORA3
SCHEMBL3066323 0.81 ACHE (0.64) ACHEPARP10PARP11
SCHEMBL5952058 0.79 ACHE (0.60) ACHEPARP10PARP11
SCHEMBL5951704 0.79 ACHE (0.60) ACHEPARP10PARP11
SCHEMBL4194430 0.78 ACHE (0.51) ACHEMAOBMAOAALDH1A1ALOX15
SCHEMBL2047790 0.78 ACHE (0.58) ACHE
SCHEMBL5951456 0.77 ACHE (0.63) ACHEALDH1A1TSHRMAPK1
SCHEMBL5952357 0.76 ACHE (0.57) ACHEPARP10PARP11
M-Xylene SCHEMBL8710882 0.76 ACHE (0.61) ACHEMAOBMAOAALOX15CYP19A1

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 839/4885MAOB 334/4885MAOA 498/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOB 403/4885MAOA 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.