SCHEMBL5952358

SCHEMBL5952358

CC(C)(C)C1Cc2c(Cl)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
MAPK14 Q16539 3/20 0.36
AADAT Q8N5Z0 1/20 0.36
NOTUM Q6P988 1/20 0.35
METAP1 P53582 1/20 0.34
KIF11 P52732 1/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.33
S100A4 P26447 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NSD2 O96028 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCHE P06276 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL5952927 0.83 METAP1 (0.37) ACHEMAPK14AADATNOTUMMETAP1
SCHEMBL5952731 0.80 ACHE (0.41) ACHEMETAP1MAPTALDH1A1HBB
SCHEMBL8845683 0.80 PIM1 (0.41) ACHEMETAP1KIF11BRD4ALDH1A1
SCHEMBL1453411 0.77 ACHE (0.66) ACHEMAPK14AADATNOTUMHTR1A
SCHEMBL8558933 0.74 ACHE (0.40) ACHEMAPK14AADATNOTUMHTR1A
SCHEMBL30666419 0.74 ACHE (0.40) ACHEMAPK14AADATNOTUMHTR1A
SCHEMBL20539615 0.74 ACHE (0.40) ACHEMAPK14AADATNOTUMMETAP1
SCHEMBL5952774 0.73 METAP1 (0.43) ACHEMAPK14AADATNOTUMMETAP1
SCHEMBL5951419 0.73 HTR2A (0.40) ACHEAADATNOTUMNSD2CES1
SCHEMBL5952742 0.73 ACHE (0.40) ACHEMAPK14AADATNOTUMKIF11

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 839/4885MAPK14 1409/4885AADAT 2265/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAPK14 1542/4885AADAT 2427/4885

“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.