SCHEMBL5952701

SCHEMBL5952701

CC(C)Cc1ccc(-c2cccc3c2CC(C)C3=O)s1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.48
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SLC25A5 P05141 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5951621 0.82 ACHE (0.42) ACHEELANECTSGCSNK2A2CSNK2A1
SCHEMBL5952466 0.78 ACHE (0.59) ACHECSNK2A2CSNK2A1ALDH1A1HPGD
SCHEMBL5952956 0.71 ACHE (0.57) ACHEALDH1A1
SCHEMBL5952522 0.68 BRD4 (0.52) ACHE
SCHEMBL18009555 0.68 ACHE (0.50) ACHEELANECSNK2A2CSNK2A1SLC25A5
SCHEMBL5953256 0.68 ACHE (0.62) ACHECSNK2A2CSNK2A1HPGD
SCHEMBL5952703 0.68 ACHE (0.43) ACHECSNK2A2CSNK2A1
SCHEMBL3066323 0.67 ACHE (0.64) ACHE
SCHEMBL19553534 0.66 ACHE (0.58) ACHEELANECTSGALDH1A1
SCHEMBL13749525 0.66 CYP2A6 (0.58) ALDH1A1HPGD

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 3425/4885CTSG 4568/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ELANE 3444/4885CTSG 4653/4885

“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.