SCHEMBL5952516

SCHEMBL5952516

CC1Cc2c(cccc2-c2ccccc2SCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
S100A4 P26447 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.39
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPY2R P49146 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
PPARG P37231 2/20 0.34
NCOA2 Q15596 2/20 0.34

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
SCHEMBL5952588 0.82 ACHE (0.47) ACHES100A4POLBMAOBKMT2A
SCHEMBL5952905 0.76 ACHE (0.59) ACHEDAO
SCHEMBL5951704 0.74 ACHE (0.60) ACHE
SCHEMBL2964689 0.74 ACHE (0.64) ACHEMAPTKDM4E
SCHEMBL3066323 0.74 ACHE (0.64) ACHE
SCHEMBL5952009 0.72 ACHE (0.62) ACHEMAOBMAPTALDH1A1LMNA
SCHEMBL5952316 0.72 ACHE (0.77) ACHECA12CA1CA2CA9
SCHEMBL5952058 0.71 ACHE (0.60) ACHE
SCHEMBL5952877 0.71 ACHE (0.60) ACHEKMT2AL3MBTL1MAPTMEN1
SCHEMBL3150632 0.70 ACHE (0.58) ACHEMAOBKMT2AMAPTGAA

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 839/4885S100A4 3739/4885POLB 1845/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885S100A4 3586/4885POLB 1979/4885

“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.