SCHEMBL5951626

SCHEMBL5951626

CC(C)CC1=CCC(=S)C(c2cccc3c2C(=O)C(C)C3)=C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
ABCB1 P08183 1/20 0.35
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL5952703 0.84 ACHE (0.43) ACHE
SCHEMBL5951724 0.82 ACHE (0.43) ACHEABCB1
SCHEMBL5952164 0.74 ACHE (0.45) ACHEABCB1
SCHEMBL19554030 0.70 ACHE (0.45) ACHEABCB1ELANECTSGHSP90AB1
SCHEMBL5951621 0.69 ACHE (0.42) ACHEABCB1ELANECTSGHSP90AB1
SCHEMBL5951479 0.66 ACHE (0.44) ACHEABCB1
SCHEMBL5952293 0.66 ACHE (0.49) ACHEABCB1HSP90AB1
SCHEMBL5952334 0.65 ACHE (0.49) ACHEABCB1HSP90AB1
SCHEMBL5509273 0.65 ACHE (0.61) ACHE
SCHEMBL5952469 0.65 ACHE (0.52) 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 839/4885ABCB1 1146/4885ELANE 3425/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885ABCB1 1132/4885ELANE 3444/4885

“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.