SCHEMBL2208359

SCHEMBL2208359

CCOC(=O)C(C)Oc1c(Cl)ccc(P(=O)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c1-c1c(P(=O)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)ccc(Cl)c1O[C@@H](C)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
KDM4E B2RXH2 4/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PPOX P50336 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL2208363 1.00 ALDH1A1 (0.34) ALDH1A1TSHRTAS1R3TAS1R1KDM4E
SCHEMBL2212131 0.91 TAS1R3 (0.37) ALDH1A1TSHRTAS1R3TAS1R1KDM4E
SCHEMBL2212127 0.91 TAS1R3 (0.37) ALDH1A1TSHRTAS1R3TAS1R1KDM4E
SCHEMBL2208385 0.88 KMT2A (0.33) ALDH1A1TSHRTAS1R3TAS1R1KDM4E
SCHEMBL2208381 0.88 KMT2A (0.33) ALDH1A1TSHRTAS1R3TAS1R1KDM4E
SCHEMBL2210116 0.84 KMT2A (0.43) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL2210113 0.84 KMT2A (0.43) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL2206852 0.84 KMT2A (0.35) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL2206856 0.84 KMT2A (0.35) ALDH1A1TSHRKDM4EKMT2AL3MBTL1
SCHEMBL2210943 0.84 KMT2A (0.31) KMT2A

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 4 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
US-7625443-B2 Chiral phosphanes for use in asymmetric syntheses BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses LIGAND CHEMIE GMBH (DE) 2005-04-21 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-20100099902-A1 CHIRAL PHOSPHANES FOR USE IN ASYMMETRIC SYNTHESES PHOSPHO1, AGPS, GGPS1 ALDH1A1 2609/4885TSHR 4296/4885TAS1R3 4820/4885
US-20050085377-A1 Chiral phosphanes for use in asymmetric syntheses PHOSPHO1, AGPS, GGPS1 ALDH1A1 2609/4885TSHR 4296/4885TAS1R3 4820/4885

“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.