SCHEMBL5952220

SCHEMBL5952220

C[Sn](C)(C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.33
TPMT P51580 1/20 0.32
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL4039180 0.75 ALDH1A1 (0.44) TSHRTP53ALDH1A1
SCHEMBL8329247 0.71 HCAR2 (0.39)
1,3,5-Trichlorobenzene SCHEMBL429512 0.71
1,3,5-Trichlorobenzene SCHEMBL23244766 0.69 TSHR (0.61) TSHRTP53CYP3A4ALDH1A1TPMT
SCHEMBL2392186 0.69 LMNA (0.50) TSHRTP53CYP3A4ALDH1A1HSD17B10
SCHEMBL5951908 0.67 ALDH1A1 (0.45) TSHRTP53CYP3A4ALDH1A1RECQL
1,3,5-Trichlorobenzene SCHEMBL28436714 0.67 TSHR (0.89) TSHRTP53CYP3A4ALDH1A1TPMT
1,3,5-Trichlorobenzene SCHEMBL29043929 0.67 TSHR (0.89) TSHRTP53CYP3A4ALDH1A1TPMT
1,3,5-Trichlorobenzene SCHEMBL5940813 0.65 TSHR (0.67) TSHRTP53CYP3A4ALDH1A1TPMT
SCHEMBL8501276 0.65 AHR (0.46) TSHRTP53CYP3A4ALDH1A1HSD17B10

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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 TSHR 4624/4885TP53 1101/4885CYP3A4 39/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TSHR 4667/4885TP53 1187/4885CYP3A4 37/4885

“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.