SCHEMBL12018604

SCHEMBL12018604

Cc1ccc(C(=O)CCCP(C)(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
GSK3B P49841 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.46
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B3 P37058 7/20 0.44
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL12016989 0.83 USP5 (0.60) KMT2ANPC1RAB9AMEN1HSD17B3
SCHEMBL9419411 0.82 KMT2A (0.69) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL8402203 0.81 KMT2A (0.67) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL16552778 0.78 KMT2A (0.83) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL4839086 0.77 HSD17B3 (0.71) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL777295 0.77 KMT2A (0.49) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL17723259 0.76 KMT2A (0.60) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL11277802 0.76 GSK3B (0.64) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL5849125 0.76 KMT2A (0.78) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL10792888 0.76 KMT2A (0.60) KMT2AGSK3BNPC1RAB9AMEN1

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-8951993-B2 Phosphorus containing compounds as protein kinase inhibitors JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2015-02-10 US disclosed
US-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2012-08-30 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-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS PPM1A, PPM1G, PPM1B KMT2A 990/4885GSK3B 93/4885NPC1 1468/4885

“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.