SCHEMBL13181798

SCHEMBL13181798

COC(=O)[C@@H](Cc1ccccc1)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL12770520 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1THRBCYP2C9
SCHEMBL30528171 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNA
SCHEMBL9340565 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNA
SCHEMBL5971112 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL30879113 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL30879112 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL13181848 0.76 TRPA1 (0.41) KMT2AMEN1ALDH1A1THRBCYP2C9
SCHEMBL12770526 0.76 TRPA1 (0.41) KMT2AMEN1ALDH1A1THRBCYP2C9
SCHEMBL10339292 0.76 KMT2A (0.65) KMT2AMEN1ALDH1A1THRBCYP2C9
SCHEMBL12770528 0.75 TAAR1 (0.41) KMT2AMEN1ATMMAPTNPC1

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-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 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-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 KMT2A 4207/4885MEN1 737/4885ALDH1A1 2336/4885

“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.