SCHEMBL3974948

SCHEMBL3974948

COc1ccccc1C(OCC(O)COCCCN)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 4/20 0.38
HSP90AB1 P08238 1/20 0.37
AGTR1 P30556 1/20 0.36
KCNH2 Q12809 1/20 0.34
NR3C2 P08235 1/20 0.33
TK1 P04183 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSK P43235 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3974956 0.90 LMNA (0.36) LMNACYP1A2KDM4ESMN1; SMN2KIF11
SCHEMBL3974951 0.84 KIF11 (0.50) KIF11KCNH2
SCHEMBL8007607 0.81 LMNA (0.36) LMNACYP1A2KDM4ESMN1; SMN2HSP90AB1
SCHEMBL9453914 0.80 CYP1A2 (0.54) LMNACYP1A2KDM4ESMN1; SMN2AGTR1
SCHEMBL2491452 0.80 KIF11 (0.51) KIF11KCNH2NR3C2TK1ALDH1A1
SCHEMBL2350759 0.78 KIF11 (0.49) KIF11KCNH2NR3C2TK1ALDH1A1
SCHEMBL2489422 0.75 KIF11 (0.64) KDM4ESMN1; SMN2KIF11KCNH2NR3C2
SCHEMBL1263153 0.74 KIF11 (0.43) LMNACYP1A2KDM4ESMN1; SMN2KIF11
SCHEMBL2493848 0.74 TAAR1 (0.43) KDM4ESMN1; SMN2KIF11KCNH2ALDH1A1
SCHEMBL9637986 0.74 USP2 (0.47) LMNACYP1A2KDM4ESMN1; SMN2KIF11

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-7504495-B2 Quencher compositions comprising anthraquinone moieties EXIQON A/S (DK) 2009-03-17 US disclosed
US-20050227254-A1 Quencher compositions comprising anthraquinone moieties QIAGEN GMBH (DE) 2005-10-13 US disclosed
EP-1538154-A1 Quencher composition comprising anthraquinone moieties Exiqon A/S (DK) 2005-06-08 EP 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-20050227254-A1 Quencher compositions comprising anthraquinone moieties ANXA5, SUN2, ANXA3 LMNA 522/4885CYP1A2 4571/4885KDM4E 3057/4885

“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.