SCHEMBL5951397

SCHEMBL5951397

COC(=O)c1ccc(-c2cccc3c2CC(C)C3=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
EGFR P00533 1/20 0.47
PTPN1 P18031 2/20 0.45
PTPRC P08575 1/20 0.45
PTPRF P10586 1/20 0.45
CDC25B P30305 1/20 0.45
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.40
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
SETD7 Q8WTS6 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA7 P43166 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A2 O94788 1/20 0.39

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
SCHEMBL5951324 0.87 ACHE (0.52) ACHECA12CA1CA2CA9
SCHEMBL5951242 0.85 ACHE (0.54) ACHE
SCHEMBL5952849 0.82 EGFR (0.45) ACHEEGFRPTPN1PTPRCPTPRF
SCHEMBL5952587 0.81 ACHE (0.50) ACHEALDH1A1
SCHEMBL5952135 0.80 ACHE (0.65) ACHEPTPN1TSHR
SCHEMBL5952061 0.80 ACHE (0.58) ACHEPTPN1
SCHEMBL5953006 0.80 ACHE (0.56) ACHEPTPRCCA1CA2CA9
SCHEMBL5952058 0.78 ACHE (0.60) ACHE
SCHEMBL5951545 0.78 ACHE (0.65) ACHEALDH1A1
SCHEMBL3066323 0.78 ACHE (0.64) ACHE

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 839/4885EGFR 2379/4885PTPN1 4659/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885EGFR 2497/4885PTPN1 4561/4885

“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.