SCHEMBL5952887

SCHEMBL5952887

O=C1c2cccc(Br)c2CC1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK5 Q00535 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
METAP1 P53582 1/20 0.37
ACHE P22303 2/20 0.37
PDK2 Q15119 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
TYR P14679 1/20 0.30

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
SCHEMBL8845683 0.83 PIM1 (0.41) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL5952927 0.80 METAP1 (0.37) METAP1ACHEPDK2
SCHEMBL5952360 0.79 PARP10 (0.41) PARP10PARP11METAP1ACHEABHD6
SCHEMBL19764906 0.77 CDK5 (0.44) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL8555103 0.75 PIM1 (0.46) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL5952144 0.75 ACHE (0.40) METAP1ACHE
SCHEMBL5952539 0.75 HTR7 (0.40) METAP1ACHE
SCHEMBL5952069 0.74 HTR1A (0.48) PARP10PARP11METAP1ACHE
SCHEMBL1453605 0.74 ACHE (0.66) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL29980139 0.74 ACHE (0.66) PIM1CSNK1A1CDK5ROCK1DYRK1A

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 PIM1 1009/4885CSNK1A1 248/4885CDK5 771/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PIM1 888/4885CSNK1A1 223/4885CDK5 753/4885

“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.