SCHEMBL3974956

SCHEMBL3974956

COc1cccc(C(OCC(O)COCCCN)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KIF11 P52732 4/20 0.35
HSP90AB1 P08238 1/20 0.35
AGTR1 P30556 1/20 0.34
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TK1 P04183 1/20 0.32
CTSK P43235 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3974948 0.90 LMNA (0.38) LMNACYP1A2SMN1; SMN2KDM4EKIF11
SCHEMBL8007614 0.82 SMN1; SMN2 (0.34) LMNACYP1A2SMN1; SMN2KDM4EAGTR1
SCHEMBL3974951 0.81 KIF11 (0.50) KIF11KCNH2
SCHEMBL28799825 0.79 ALDH1A1 (0.38) LMNACYP1A2SMN1; SMN2AGTR1MAPT
Lithium SCHEMBL29714938 0.78 ALDH1A1 (0.38) LMNACYP1A2SMN1; SMN2AGTR1MAPT
SCHEMBL1263157 0.76 KIF11 (0.41) LMNACYP1A2SMN1; SMN2KIF11AGTR1
SCHEMBL2491452 0.75 KIF11 (0.51) KIF11KCNH2ALDH1A1TK1
Lithium SCHEMBL29904177 0.75 SMN1; SMN2 (0.41) LMNASMN1; SMN2KDM4EKIF11MAPT
SCHEMBL8843149 0.75 KMT2A (0.40) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL29714943 0.73 BCHE (0.35) LMNAMAPTKCNH2ALDH1A1

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 4571/4885SMN1; SMN2 2628/4885

“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.