SCHEMBL5951644

SCHEMBL5951644

Cc1ccc(-c2cccc3c2C(=O)C(C)C3)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.53
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CES2 O00748 2/20 0.43
KDM1A O60341 2/20 0.43
CES1 P23141 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
BLM P54132 2/20 0.43
ELAVL1 Q15717 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL5951252 0.85 ACHE (0.56) ACHEMAPTMEN1KMT2AKDM4E
SCHEMBL5951296 0.85 ACHE (0.59) ACHEMEN1KMT2AALDH1A1STAT3
SCHEMBL5951952 0.82 ACHE (0.49) ACHEMAPTMEN1KMT2AKDM4E
SCHEMBL5953562 0.82 ACHE (0.55) ACHETDP1MAPTMEN1KMT2A
SCHEMBL5951482 0.81 ACHE (0.53) ACHETDP1MAPTMEN1KMT2A
SCHEMBL5953177 0.80 ACHE (0.56) ACHEALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5951788 0.80 ACHE (0.53) ACHEMAPTSTAT3MAOAMAOB
SCHEMBL5952137 0.79 ACHE (0.64) ACHETDP1MAPTMEN1KMT2A
SCHEMBL5952103 0.79 ACHE (0.59) ACHETDP1MAPTMEN1KMT2A
SCHEMBL5951762 0.79 ACHE (0.51) ACHECES1HIF1AALDH1A1HPGD

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 839/4885TDP1 3788/4885MAPT 3693/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885TDP1 3321/4885MAPT 3748/4885

“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.