SCHEMBL2976175

SCHEMBL2976175

CCC(C(=O)O)c1ccc(OCCOC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.56
AKR1C3 P42330 6/20 0.55
AKR1C2 P52895 6/20 0.55
AKR1C1 Q04828 2/20 0.55
PTGS1 P23219 1/20 0.55
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.45
AKR1B10 O60218 1/20 0.44
AKR1C4 P17516 1/20 0.44
TSHR P16473 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL3828059 0.87 AKR1C3 (0.65) AKR1C3AKR1C2AKR1C1PTGS1ACHE
SCHEMBL27524318 0.81 ACHE (0.55) FDPSAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL8092960 0.80 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1PTGS1ACHE
SCHEMBL6612965 0.79 AKR1C3 (0.55) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL6023746 0.79 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1ACHE
SCHEMBL11315398 0.79 LMNA (0.53) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2495059 0.78 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1ACHE
SCHEMBL18888185 0.78 FDPS (0.55) FDPSACHEKDM4E
SCHEMBL298386 0.78 TSHR (0.67) AKR1C3AKR1C2AKR1C1PTGS1ACHE
SCHEMBL26093138 0.78 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1PTGS1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 FDPS 2813/4885AKR1C3 1058/4885AKR1C2 1323/4885

“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.