SCHEMBL12552829

SCHEMBL12552829

Cc1cc(C)c(C(=O)OCC[Si](C)(C)C)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.33
CISD2 Q8N5K1 1/20 0.32

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
SCHEMBL12554117 0.82 SMN1; SMN2 (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2CYP3A4
SCHEMBL12384127 0.77 CYP3A4 (0.38) ALDH1A1LMNASMN1; SMN2CYP3A4TDP1
SCHEMBL23582874 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL6164950 0.77 ALDH1A1 (0.43) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL23582894 0.76 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2CYP3A4TDP1
SCHEMBL8571227 0.74 CYP3A4 (0.50) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL10150788 0.73 CYP3A4 (0.36) ALDH1A1MAPTSMN1; SMN2CYP3A4TDP1
SCHEMBL13149255 0.71 CYP3A4 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL12551873 0.70 CYP3A4 (0.40) ALDH1A1SMN1; SMN2CYP3A4TDP1L3MBTL1
SCHEMBL31643470 0.70 NR1H2 (0.44) KDM4EMAPTSMN1; SMN2CYP3A4TDP1

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-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA ALDH1A1 1425/4885GAA 1289/4885LMNA 3424/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 ALDH1A1 2336/4885GAA 799/4885LMNA 4661/4885

“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.