SCHEMBL9976336

SCHEMBL9976336

C=c1cc2c(cc1C)=C(c1ccccc1C(=O)C(C)C)c1ccc(N(CC)CC)cc1O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA3 P07451 3/20 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
SCHEMBL9976333 0.88 SMN1; SMN2 (0.34) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL16272870 0.80 HTT (0.34) MAPTSMN1; SMN2TP53L3MBTL1MEN1
SCHEMBL12302214 0.78 SMN1; SMN2 (0.42) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL17399559 0.77 MEN1 (0.35) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL13234516 0.77 MAOB (0.41) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL16093539 0.76 CA12 (0.39) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL17399555 0.73 PDK2 (0.35) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL9976343 0.73 HDAC3 (0.33) —
SCHEMBL15942835 0.72 TSHR (0.41) SMN1; SMN2LMNATP53L3MBTL1MEN1
SCHEMBL17399556 0.71 PDK2 (0.37) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2012-06-21 — — 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 MAPT 3064/4885SMN1; SMN2 2310/4885NPC1 660/4885

“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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