SCHEMBL5951672

SCHEMBL5951672

C=Cc1cccc([Sn](C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
HDAC8 Q9BY41 2/20 0.36
PTGS2 P35354 1/20 0.36
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL339657 0.78 ALDH1A1 (0.48) TDP1ALDH1A1TSHRPTGS2
SCHEMBL21881 0.75 TDP1 (0.67) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL15267169 0.75 ACHE (0.35)
Water SCHEMBL20239051 0.73 TDP1 (0.64) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL30381592 0.73 TDP1 (0.64) TP53TDP1ALDH1A1TSHRHDAC8
Ammonia Solution, Strong SCHEMBL31335086 0.73 TDP1 (0.64) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL5888620 0.72 ALDH1A1 (0.58) TP53TDP1ALDH1A1TSHRHDAC8
Hydrochloric Acid SCHEMBL29128956 0.71 TDP1 (0.61) TP53TDP1ALDH1A1TSHRHDAC8
SCHEMBL29464940 0.70
SCHEMBL679453 0.70 TP53 (1.00) TP53TDP1ALDH1A1TSHRHDAC8

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 TP53 1101/4885TDP1 3788/4885ALDH1A1 317/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TP53 1187/4885TDP1 3321/4885ALDH1A1 198/4885

“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.