SCHEMBL5952914

SCHEMBL5952914

Cc1cc(C)c(-c2cccc3c2CC(C)C3=O)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.66
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ELANE P08246 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
BRCA1 P38398 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 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
SCHEMBL5952218 0.83 ACHE (0.64) ACHEELANEMAPTMAOBCYP19A1
SCHEMBL5951456 0.83 ACHE (0.63) ACHEKDM4EMEN1USP2ALDH1A1
SCHEMBL5952251 0.80 ACHE (0.51) ACHEKDM4EMEN1USP2ALDH1A1
SCHEMBL5952851 0.80 ACHE (0.64) ACHEKDM4EMEN1ALDH1A1ELANE
SCHEMBL6936179 0.80 ACHE (1.00) ACHEALDH1A1CREBBPMAOAMAOB
SCHEMBL30666460 0.80 ACHE (1.00) ACHEALDH1A1CREBBPMAOAMAOB
SCHEMBL5952316 0.79 ACHE (0.77) ACHETSHRCSNK2A2CSNK2A1BRD4
M-Xylene SCHEMBL8710882 0.78 ACHE (0.61) ACHEKDM4EBRD4CREBBPMAOA
SCHEMBL5952610 0.78 ACHE (0.61) ACHEALDH1A1MAPTBRD4CREBBP
SCHEMBL5951545 0.78 ACHE (0.65) ACHEMEN1ALDH1A1MAPTKMT2A

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 839/4885KDM4E 2127/4885MEN1 718/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885KDM4E 2338/4885MEN1 614/4885

“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.