SCHEMBL5952218

SCHEMBL5952218

Cc1ccc(-c2cccc3c2CC(C)C3=O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.64
ELANE P08246 1/20 0.39
KDR P35968 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
ROS1 P08922 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL5952851 0.88 ACHE (0.64) ACHEELANELMNAMAOBCYP19A1
SCHEMBL5952316 0.84 ACHE (0.77) ACHE
SCHEMBL5952914 0.83 ACHE (0.66) ACHEELANEMAPTMAOBCYP19A1
SCHEMBL5952709 0.80 ACHE (0.54) ACHEELANELMNAMAOBCYP19A1
SCHEMBL5952610 0.80 ACHE (0.61) ACHEMAPTCLK4MAOB
SCHEMBL5951545 0.80 ACHE (0.65) ACHEKDRMAPTMAOBCYP19A1
SCHEMBL5952702 0.80 ACHE (0.75) ACHEMAPTLMNAMAOB
SCHEMBL5951788 0.79 ACHE (0.53) ACHEELANEGAAMAPTMAOB
SCHEMBL5952137 0.79 ACHE (0.64) ACHEMAPTLMNAMAOB
SCHEMBL6936179 0.79 ACHE (1.00) ACHEMAOB

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 839/4885ELANE 3425/4885KDR 2027/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ELANE 3444/4885KDR 2158/4885

“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.