SCHEMBL4806982

SCHEMBL4806982

CCC(=O)C(C)(C)[C@@H](O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.39
FFAR3 O14843 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
MAPT P10636 2/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4807998 1.00 PGD (0.43) PGDSLC22A6FFAR3SMN1; SMN2GPR84
SCHEMBL3650683 0.79 PGD (0.47) PGDSLC22A6SMN1; SMN2GPR84MAPT
SCHEMBL6607487 0.78 PGD (0.40) PGDSLC22A6FFAR3SMN1; SMN2GPR84
SCHEMBL6599751 0.78 PGD (0.40) PGDSLC22A6FFAR3SMN1; SMN2GPR84
SCHEMBL6607495 0.78 PGD (0.40) PGDSLC22A6FFAR3SMN1; SMN2GPR84
SCHEMBL6599755 0.78 PGD (0.40) PGDSLC22A6FFAR3SMN1; SMN2GPR84
SCHEMBL5681121 0.74 TSHR (0.32) TSHR
SCHEMBL13746699 0.74 TSHR (0.32) TSHR
SCHEMBL6805671 0.74 PGD (0.50) PGDSLC22A6SMN1; SMN2GPR84MAPT
SCHEMBL6507188 0.74 ALDH1A1 (0.31) TDP1ALDH1A1

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-7317100-B2 Epothilone derivatives NOVARTIS AG (CH) 2008-01-08 US disclosed
US-20060014796-A1 Epothilone derivatives DENNI-DISCHERT DONATIENNE 2006-01-19 US disclosed
EP-1581536-A2 EPOTHILONE DERIVATIVES Novartis AG (CH) 2005-10-05 EP disclosed
WO-2004056832-A2 EPOTHILONE DERIVATIVES NOVARTIS AG (CH) 2004-07-08 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 (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-20060014796-A1 Epothilone derivatives CYP4A11, CYP51A1, EPOR PGD 1932/4885SLC22A6 3201/4885FFAR3 2167/4885

“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.