SCHEMBL2800622

SCHEMBL2800622

CCOC(=O)C1(CCOCc2ccccc2)CCC(O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 7/20 0.42
P4HB P07237 1/20 0.42
MEN1 O00255 5/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPY1R P25929 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL20295173 0.82 LMNA (0.53) LMNAPOLBPKMMAPTKDM4E
SCHEMBL18208434 0.82 MAPK1 (0.46) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL18208738 0.82 MAPK1 (0.46) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL4895990 0.80 KMT2A (0.51) LMNAPOLBPKMMAPTKDM4E
SCHEMBL19839361 0.80 TACR1 (0.37) RAB9ANPC1OPRM1
SCHEMBL19839325 0.79 DGAT1 (0.38) MAPTRAB9ANPC1OPRM1
SCHEMBL2800461 0.79 CHRM3 (0.37) RECQLALDH1A1OPRM1
SCHEMBL2801258 0.79 ALDH1A1 (0.37) ALDH1A1L3MBTL1OPRM1
SCHEMBL3928843 0.78 PPM1D (0.34) LMNAPOLBPKMMAPTKDM4E
SCHEMBL6109409 0.78 PPM1D (0.36) LMNAPOLBPKMMAPTKDM4E

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-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
EP-1973914-A2 TRANSFORMING GROWTH FACTOR MODULATORS Biogen Idec MA Inc. (US) 2008-10-01 EP disclosed
WO-2007076086-A2 TRICYCLIC SPIRO COMPOUNDS USEFUL AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 WO 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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 LMNA 1462/4885POLB 4384/4885PKM 2507/4885

“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.