SCHEMBL12401737

SCHEMBL12401737

CC(C)=CNc1cccc(C2OCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
BUB1 O43683 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12398867 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL3836474 0.81 NPC1 (0.41) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL17153248 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL2277574 0.77 DHODH (0.60) HTTLMNAMAPTMEN1MAPK1
SCHEMBL5362260 0.77 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL233377 0.72 NPSR1 (0.53) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL17010980 0.71 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL4515216 0.71 KMT2A (0.51) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL8263243 0.68 MAPT (0.48) SMN1; SMN2ALDH1A1HTTLMNARAB9A
SCHEMBL1416831 0.68 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HTTLMNAATM

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-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 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-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 SMN1; SMN2 4043/4885ALDH1A1 3313/4885HTT 2328/4885

“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.