SCHEMBL5951885

SCHEMBL5951885

CC1Cc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.54
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
KDR P35968 1/20 0.43
DRD2 P14416 1/20 0.40
METAP1 P53582 1/20 0.39
PARP1 P09874 2/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KIF11 P52732 2/20 0.37
BACE1 P56817 2/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL5951965 0.87 ACHE (0.53) ACHEMAOBMAOAMETAP1PARP1
SCHEMBL5952071 0.87 ACHE (0.55) ACHEMAOBMAOAPARP1BRD4
SCHEMBL5952547 0.86 HTR1A (0.52) ACHEMAOBPARP1HTR1AHTR7
SCHEMBL5952600 0.83 ACHE (0.59) ACHEMAOBHTR1AHTR7
SCHEMBL6207200 0.82 KDR (0.43) MAOBMAOAKDRDRD2METAP1
SCHEMBL5953273 0.82 ACHE (0.51) ACHESCN9A
SCHEMBL5952058 0.81 ACHE (0.60) ACHEHTR1AHTR7BRD4CREBBP
SCHEMBL5951545 0.81 ACHE (0.65) ACHEMAOBMAOAKDR
SCHEMBL3066323 0.81 ACHE (0.64) ACHEHTR1AHTR7BRD4CREBBP
SCHEMBL5951501 0.81 ACHE (0.49) ACHEMAOBMAOAKDRMETAP1

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.