SCHEMBL280058

SCHEMBL280058

CCCCOc1ccccc1[P@@](CC[P@@](c1ccccc1)c1ccccc1OCCCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
LTA4H P09960 2/20 0.42
CYP19A1 P11511 1/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL10382309 0.85 ALDH1A1 (0.44) CYP1A2CYP2C19LTA4HMAPTALDH1A1
SCHEMBL1837899 0.83 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19LTA4HCYP19A1
SCHEMBL10456909 0.83 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19LTA4HCYP19A1
SCHEMBL15074813 0.82 ALDH1A1 (0.42) CYP1A2CYP2C19LTA4HMAPTALDH1A1
SCHEMBL1837833 0.79 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LTA4HCYP19A1
SCHEMBL15074817 0.78 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CYP19A1HIF1A
SCHEMBL31593 0.78 CA1 (0.44) TP53LMNACHRM2ALDH1A1L3MBTL1
SCHEMBL10290527 0.78 CA1 (0.44) TP53LMNACHRM2ALDH1A1L3MBTL1
SCHEMBL1231880 0.78 CA1 (0.44) TP53LMNACHRM2ALDH1A1L3MBTL1
SCHEMBL30007746 0.78 CA1 (0.44) TP53LMNACHRM2ALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067642-B2 Chiral phosphorous compounds Celtice Catalysts Limited, Nova UCD (IE) 2011-11-29 US disclosed
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS CELTIC CATALYSTS LIMITED (IE) 2010-07-01 US disclosed
WO-2008117054-A2 CHIRAL DIPHOSPHINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS CELTIC CATALYSTS LIMITED (IE) 2008-10-02 WO 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-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS RPP30, PLCB3, INPP5D CYP1A2 2307/4885CYP2C9 1130/4885CYP2C19 967/4885

“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.