SCHEMBL12830008

SCHEMBL12830008

COc1cccc2cc(-c3scc(NC(=O)CCc4ccccc4)c3C(=O)O)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LTB4R Q15722 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7958523 0.84 KMT2A (0.46) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL12756669 0.83 MKNK1 (0.44) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL12756459 0.82 RAB9A (0.58) SMN1; SMN2HPGDKMT2AMEN1NPSR1
SCHEMBL12830019 0.79 HDAC6 (0.42) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL12756681 0.77 ALOX15 (0.49) SMN1; SMN2HPGDKMT2AMEN1RAB9A
SCHEMBL12756670 0.75 MEN1 (0.42) SMN1; SMN2HPGDKMT2AMEN1RAB9A
SCHEMBL12756653 0.75 GAA (0.51) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL12829840 0.75 RAB9A (0.46) SMN1; SMN2HPGDKMT2ANPSR1RAB9A
SCHEMBL12756425 0.75 HDAC6 (0.51) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL12830963 0.74 HDAC6 (0.51) SMN1; SMN2KMT2AMEN1MAPTRAB9A

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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885HPGD 1883/4885KMT2A 4706/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885HPGD 1883/4885KMT2A 4706/4885

“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.

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