SCHEMBL9976333

SCHEMBL9976333

C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1C(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CA12 O43570 5/20 0.33
▸ CA9 Q16790 5/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA3 P07451 4/20 0.33
▸ CA4 P22748 4/20 0.33
▸ CA6 P23280 4/20 0.33
▸ CA5A P35218 4/20 0.33

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
SCHEMBL12302214 0.90 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL17399559 0.89 MEN1 (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL9976336 0.88 MAPT (0.33) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL16093539 0.87 CA12 (0.39) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL13234516 0.87 MAOB (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL17399555 0.85 PDK2 (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL21648614 0.83 CASP3 (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL15942835 0.83 TSHR (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL21896322 0.83 MEN1 (0.31) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL17399556 0.83 PDK2 (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1

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-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 — — US disclosed
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 (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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 SMN1; SMN2 2310/4885MEN1 1425/4885KMT2A 3065/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 SMN1; SMN2 2225/4885MEN1 1363/4885KMT2A 3078/4885

“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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