SCHEMBL6896136

SCHEMBL6896136

CCOC(=O)CC(O)(c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
NLRP3 Q96P20 4/20 0.39
ACHE P22303 1/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
KIF11 P52732 1/20 0.37

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
SCHEMBL17700298 0.88 POLB (0.44) POLBSMN1; SMN2CA12CA1CA2
SCHEMBL27915128 0.86 CA12 (0.38) POLBSMN1; SMN2CA12CA1CA2
SCHEMBL6898820 0.82 ALDH1A1 (0.45) SMN1; SMN2LMNA
SCHEMBL4619371 0.82 SMN1; SMN2 (0.54) POLBSMN1; SMN2HSD11B1KMT2A
SCHEMBL9326006 0.77 CA12 (0.41) POLBCA12CA1CA2CA7
SCHEMBL3923273 0.75 CNR2 (0.51) POLBCA12CA1CA2CA7
SCHEMBL17978734 0.75 MEN1 (0.51) POLBSMN1; SMN2KMT2ALMNAKIF11
SCHEMBL17420520 0.74 ACSS2 (0.47) POLBSMN1; SMN2CA12CA1CA2
SCHEMBL9326889 0.73 CNR2 (0.41) POLBCA12CA1CA2CA7
SCHEMBL21447568 0.72 HSD11B1 (0.52) POLBSMN1; SMN2HSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703504-B2 HAVING SUBSTANTIAL ORIENTATIONAL RIGIDITY OF AROMATIC RINGS WITH RESPECT TO CENTRAL INDANE MOIETY AND ELECTRON DONATING FUNCTIONALITY WHICH PROMINENTLY ACTIVATES AND ACCELERATES ELECTROPHILIC AROMATIC SUBSTITUTION OF PARENT RINGS Slemon, Clarke (CA) 2004-03-09 US disclosed
US-20030232932-A1 Conformationally constrained compounds as dendrimer cores SLEMON, CLARKE (CA) 2003-12-18 US disclosed
WO-2003064501-A1 CONFORMATIONALLY RESTRICTED COMPOUNDS AS DENDRIMER CORES SLEMON CLARKE (CA) 2003-08-07 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-20030232932-A1 Conformationally constrained compounds as dendrimer cores PCNA, PICALM, CROCC POLB 152/4885SMN1; SMN2 4487/4885CA12 3209/4885

“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.