SCHEMBL13938554

SCHEMBL13938554

CCCCOc1ccc(Cl)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 7/20 0.50
MAPT P10636 7/20 0.50
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
S1PR4 O95977 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL3794601 0.91 L3MBTL1 (0.53) PTGESMEN1KMT2AGAAL3MBTL1
SCHEMBL4086718 0.87 MAPT (0.51) PTGESMEN1KMT2AL3MBTL1MAPT
SCHEMBL24305898 0.86 SMPD1 (0.56) PTGESMEN1KMT2AGAARAB9A
SCHEMBL24306566 0.84 L3MBTL1 (0.50) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL21596050 0.83 MAPT (0.59) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL6648626 0.83 PRSS1 (0.49) PTGESMEN1KMT2AL3MBTL1MAPT
SCHEMBL21595981 0.82 MAPT (0.50) MEN1KMT2AL3MBTL1MAPTHPGD
SCHEMBL19612285 0.81 MAPT (0.53) PTGESL3MBTL1MAPTHPGDALDH1A1
SCHEMBL5477791 0.81 ALDH1A1 (0.68) KMT2AGAAL3MBTL1MAPTHPGD
SCHEMBL17546739 0.81 ALDH1A1 (0.57) MEN1KMT2AGAAL3MBTL1MAPT

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-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL PTGES 4340/4885MEN1 1002/4885KMT2A 624/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 PTGES 2258/4885MEN1 1439/4885KMT2A 736/4885

“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.