SCHEMBL5952789

SCHEMBL5952789

CC1Cc2c(cccc2-c2ccc(N)cc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.58
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
KIT P10721 2/20 0.33
KDR P35968 2/20 0.33
FLT3 P36888 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL5952058 0.85 ACHE (0.60) ACHEBRD4CREBBP
SCHEMBL5951545 0.85 ACHE (0.65) ACHEMAOAMAOBKDR
SCHEMBL3066323 0.85 ACHE (0.64) ACHEBRD4CREBBP
SCHEMBL5952238 0.84 ACHE (0.55) ACHEMAOAMAOBBRD4CREBBP
SCHEMBL5952061 0.84 ACHE (0.58) ACHEMAOAMAOB
SCHEMBL5952600 0.84 ACHE (0.59) ACHEMAOB
SCHEMBL5952785 0.84 ACHE (0.58) ACHE
SCHEMBL5953275 0.84 ACHE (0.58) ACHE
SCHEMBL5952735 0.83 ACHE (0.54) ACHEBRD4CREBBPKDRFLT3
SCHEMBL5952071 0.81 ACHE (0.55) ACHEMAOAMAOBBRD4CREBBP

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 839/4885MAOA 498/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885MAOB 403/4885

“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.