SCHEMBL20045356

SCHEMBL20045356

COCCOc1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
DGAT1 O75907 2/20 0.39
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
FPR2 P25090 2/20 0.32
FFAR1 O14842 1/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
SNCA P37840 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
PLAU P00749 1/20 0.31
CSF1R P07333 1/20 0.31
PIK3CA P42336 1/20 0.30

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
SCHEMBL21823661 0.89 ALPL (0.41) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL3515303 0.86 AAK1 (0.44) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL407919 0.86 ALPL (0.46) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL29555798 0.86 ALPL (0.46) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL2067086 0.85 DGAT1 (0.39) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL19461474 0.84 DGAT1 (0.43) ALPLAAK1DGAT1SNCACSF1R
SCHEMBL3515180 0.80 AAK1 (0.43) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL251502 0.79 ALPL (0.45) ALPLAAK1DGAT1GSK3AGSK3B
SCHEMBL183050 0.78 CSF1R (0.41) DGAT1LPLLIPGCSF1R
SCHEMBL613434 0.78 AAK1 (0.46) ALPLAAK1DGAT1GSK3AGSK3B

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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB ALPL 3690/4885AAK1 992/4885DGAT1 3590/4885
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB ALPL 3516/4885AAK1 845/4885DGAT1 3794/4885

“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.