SCHEMBL1055709

SCHEMBL1055709

COc1c(F)cc(CO)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.45
GAA P10253 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
ERN1 O75460 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.42
LIPE Q05469 1/20 0.42

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
SCHEMBL28108814 0.90 ABCB1 (0.50) MGAMGAASIMGAM2HSD17B10
SCHEMBL1056954 0.89 KDM1A (0.43) LMNAHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL2303383 0.83 KDM1A (0.48) LMNAHPGDSMN1; SMN2NPC1MAOB
SCHEMBL21722716 0.83 GAA (0.45) MGAMGAASIMGAM2HSD17B10
SCHEMBL1055726 0.82 ALDH1A1 (0.44) LMNAHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL9075448 0.82 ABCB1 (0.47) MGAMGAASIMGAM2
SCHEMBL4420078 0.81 LIPE (0.47) HSD17B10LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL1766201 0.81 RXRA (0.55) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7511997 0.80 HSD17B10 (0.58) MGAMGAASIMGAM2HSD17B10
SCHEMBL7283121 0.80 HTR2A (0.48) HSD17B10ALDH1A1

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-7872014-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-01-18 US disclosed
US-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2007-02-08 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-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use ALK, MALT1, BCL6 MGAM 2947/4885GAA 957/4885SI 4403/4885

“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.