SCHEMBL5952704

SCHEMBL5952704

COc1ccc(Cc2cccc3c2CC(C)C3=O)cc1S

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.56
CYP19A1 P11511 2/20 0.39
HTR7 P34969 1/20 0.34
NR1H3 Q13133 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CA2 P00918 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
SCHEMBL5952214 0.82 ACHE (0.48) ACHECA2
SCHEMBL5952905 0.76 ACHE (0.59) ACHECYP19A1
SCHEMBL15746282 0.74 ACHE (1.00) ACHECYP19A1MAPT
SCHEMBL5952571 0.73 ACHE (0.52) ACHEMAPT
SCHEMBL5952092 0.69 ACHE (0.82) ACHECYP19A1MAPT
SCHEMBL5951716 0.68 ACHE (0.68) ACHE
SCHEMBL5953386 0.68 ACHE (0.68) ACHECYP19A1MAPT
SCHEMBL19553534 0.68 ACHE (0.58) ACHECYP19A1
SCHEMBL5953320 0.67 ACHE (0.67) ACHECYP19A1
SCHEMBL5951515 0.66 ACHE (0.55) ACHENR1H3

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 839/4885CYP19A1 18/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CYP19A1 17/4885HTR7 2049/4885

“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.