SCHEMBL1913985

SCHEMBL1913985

CC/C(=C\C(=O)O)c1cnc(-c2cc(C34CC5CC(CC(C5)C3)C4)c(OCc3ccccc3)cc2OC)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR1 P21453 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 4/20 0.39
CNR2 P34972 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RARA P10276 3/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
NR1I2 O75469 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
SCHEMBL1913928 0.91 IKBKB (0.41) SMN1; SMN2NPC1RAB9AS1PR1HPGD
SCHEMBL1914117 0.86 RARA (0.41) S1PR1LMNAMEN1KMT2ARARA
SCHEMBL13505600 0.85 HDAC11 (0.45) S1PR1LMNAALDH1A1TP53GAA
SCHEMBL13505534 0.85 HDAC11 (0.45) S1PR1LMNAALDH1A1TP53GAA
SCHEMBL1914439 0.85 XDH (0.43) SMN1; SMN2NPC1RAB9AS1PR1HPGD
SCHEMBL1914546 0.84 FAAH (0.44) SMN1; SMN2NPC1RAB9AS1PR1HPGD
SCHEMBL1913982 0.82 LMNA (0.42) SMN1; SMN2NPC1RAB9AS1PR1HPGD
SCHEMBL1914162 0.81 RARA (0.42) SMN1; SMN2NPC1RAB9AS1PR1HPGD
SCHEMBL1914344 0.80 XDH (0.40) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL1913919 0.78 IKBKB (0.40) SMN1; SMN2NPC1RAB9AS1PR1HPGD

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-9096544-B2 Therapeutic compounds WAYNE STATE UNIVERSITY (US) 2015-08-04 US disclosed
US-20130137699-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-30 US disclosed
WO-2011079305-A1 THERAPEUTIC COMPOUNDS WAYNE STATE UNIVERSITY (US) 2011-06-30 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-20130137699-A1 THERAPEUTIC COMPOUNDS BAX, MCL1, TMBIM6 SMN1; SMN2 1427/4885NPC1 46/4885RAB9A 989/4885

“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.