SCHEMBL2210113

SCHEMBL2210113

CCOC(=O)C(C)Oc1c(Cl)ccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc(Cl)c1O[C@@H](C)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.36
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PIN1 Q13526 1/20 0.35
RORA P35398 1/20 0.34
NR5A1 Q13285 1/20 0.34

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
SCHEMBL2210116 1.00 KMT2A (0.43) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL2210803 0.95 KMT2A (0.40) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL2210807 0.95 KMT2A (0.40) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL2211161 0.89 PPOX (0.36) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL2211157 0.89 PPOX (0.36) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL2208355 0.88 KMT2A (0.39) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL2208362 0.88 KMT2A (0.39) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL2208363 0.84 ALDH1A1 (0.34) KMT2ALMNAL3MBTL1ALDH1A1TSHR
SCHEMBL2208359 0.84 ALDH1A1 (0.34) KMT2ALMNAL3MBTL1ALDH1A1TSHR
SCHEMBL2212119 0.84 KDM4E (0.34) KMT2AMEN1LMNAL3MBTL1ALDH1A1

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-7981827-B2 Chiral phosphanes for use in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES PHOSPHO1, AGPS, GGPS1 KMT2A 2926/4885MEN1 618/4885LMNA 4363/4885

“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.