SCHEMBL3892017

SCHEMBL3892017

CCC(C)(C)OOOC(C)(C)CC

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL29165629 0.91 TSHR (0.43) TSHRTDP1ALDH1A1
Propane SCHEMBL22163895 0.87 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL22437 0.85 TSHR (0.56) TSHRTDP1ALDH1A1
SCHEMBL13214042 0.82
SCHEMBL28291040 0.81 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL43867 0.81 TSHR (0.53) TSHRTDP1ALDH1A1
Propane SCHEMBL325596 0.81 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL29280589 0.79 TSHR (0.50) TSHRTDP1ALDH1A1
Ethylene SCHEMBL28050612 0.79 TSHR (0.50) TSHRTDP1ALDH1A1
Methyl Alcohol SCHEMBL8027284 0.79 TSHR (0.50) TSHRTDP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 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 (1 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-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C TSHR 1155/4885TDP1 1370/4885ALDH1A1 1493/4885

“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.