SCHEMBL3074987

SCHEMBL3074987

CCC(C=O)CC.CCOC(C)OCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 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
Ethylene SCHEMBL9659958 0.82 LMNA (0.43) LMNATSHRSMN1; SMN2
Isobutyraldehyde SCHEMBL427264 0.82 LMNA (0.67) LMNATHRB
SCHEMBL11769218 0.80 LMNA (0.63) LMNATHRB
SCHEMBL11338287 0.80 LMNA (0.63) LMNATHRB
Acetaldehyde SCHEMBL212729 0.79 LMNA (0.71) LMNATSHRTHRB
SCHEMBL4293299 0.79 LMNA (0.71) LMNATHRB
SCHEMBL29715 0.79
Ethylene Glycol SCHEMBL14689834 0.78 TSHR (0.61) LMNATSHRSMN1; SMN2
SCHEMBL5582150 0.78 LMNA (0.60) LMNATSHRTHRB
SCHEMBL401436 0.78 LMNA (0.60) LMNATHRB

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
WO-2006119104-A2 PROCESS FOR PREPARING ISATINS WITH CONTROL OF SIDE-PRODUCT FORMATION WYETH (US) 2006-11-09 WO claimed
US-20060247442-A1 Process for preparing isatins with control of side-product formation WYETH (US) 2006-11-02 US claimed
US-20100221445-A1 O-DESMETHYLVENLAFAXINE AND BAZEDOXIFENE COMBINATION PRODUCT AND USES THEREOF WYETH LLC (US) 2010-09-02 US disclosed
WO-2006119104-A2 PROCESS FOR PREPARING ISATINS WITH CONTROL OF SIDE-PRODUCT FORMATION WYETH (US) 2006-11-09 WO disclosed
US-20060247442-A1 Process for preparing isatins with control of side-product formation 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 (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-20100221445-A1 O-DESMETHYLVENLAFAXINE AND BAZEDOXIFENE COMBINATION PRODUCT AND USES THEREOF CYP19A1, HSD17B11, SLC6A4 LMNA 2634/4885TSHR 751/4885SMN1; SMN2 1541/4885
US-20060247442-A1 Process for preparing isatins with control of side-product formation NISCH, HASPIN, INMT LMNA 2242/4885TSHR 2552/4885SMN1; SMN2 2749/4885

“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.