SCHEMBL5952571

SCHEMBL5952571

CSc1ccc(Cc2cccc3c2CC(C)C3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TBXA2R P21731 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
SLC5A1 P13866 3/20 0.36
SLC5A2 P31639 3/20 0.36
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VKORC1 Q9BQB6 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL5952905 0.85 ACHE (0.59) ACHE
SCHEMBL5952567 0.79 ACHE (0.55) ACHE
SCHEMBL5951658 0.79 SLC6A2 (0.43) ACHESLC6A4SLC6A2SLC6A3TBXA2R
SCHEMBL5952698 0.74 ACHE (0.53) ACHEPTGER3PTGER2
SCHEMBL5952704 0.73 ACHE (0.56) ACHEMAPT
SCHEMBL19553534 0.73 ACHE (0.58) ACHEMAOA
SCHEMBL5951331 0.71 ACHE (0.55) ACHE
SCHEMBL5951515 0.71 ACHE (0.55) ACHEMAOA
SCHEMBL30666460 0.70 ACHE (1.00) ACHEMAOA
SCHEMBL6936179 0.70 ACHE (1.00) ACHEMAOA

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 839/4885SLC6A4 4673/4885SLC6A2 4252/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885SLC6A4 4703/4885SLC6A2 4372/4885

“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.