SCHEMBL5952592

SCHEMBL5952592

O=C1c2cccc(Br)c2CC1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK5 Q00535 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CYP1B1 Q16678 3/20 0.35
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL5952861 0.81 ACHE (0.41) ACHELMNATSHRDRD2HTR2A
SCHEMBL5951666 0.79 ACHE (0.43) ACHEPARP10PARP11LMNATSHR
SCHEMBL5953225 0.74 ACHE (0.41) ACHEHTR2AHTR2CHTR2BMAPT
SCHEMBL8555103 0.74 PIM1 (0.46) ACHEPIM1CSNK1A1CDK5ROCK1
SCHEMBL29980139 0.73 ACHE (0.66) ACHEPIM1CSNK1A1CDK5ROCK1
SCHEMBL19764906 0.73 CDK5 (0.44) ACHEPIM1CSNK1A1CDK5ROCK1
SCHEMBL1453605 0.73 ACHE (0.66) ACHEPIM1CSNK1A1CDK5ROCK1
Ethylene SCHEMBL8845649 0.70 ACHE (0.62) ACHEPIM1CSNK1A1CDK5ROCK1
SCHEMBL5951995 0.69 PIM1 (0.41) ACHEPIM1CSNK1A1CDK5ROCK1
SCHEMBL8845683 0.69 PIM1 (0.41) ACHEPIM1CSNK1A1CDK5ROCK1

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 839/4885PIM1 1009/4885CSNK1A1 248/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885PIM1 888/4885CSNK1A1 223/4885

“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.