SCHEMBL259633

SCHEMBL259633

COc1c(C)cc(P(CC[P@@](c2ccccc2)c2cc(C)c(OC)c(C)c2C)c2ccccc2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ GPR55 Q9Y2T6 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL259634 0.81 MAPT (0.37) MAPTALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL258758 0.79 ESR1 (0.34) POLBCNR2GPR55ALDH1A1KDM4E
SCHEMBL20906372 0.75 ATP4A (0.34) CNR2GPR55CNR1MAPTALDH1A1
SCHEMBL31566365 0.74 CYP3A4 (0.35) POLBALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL31566366 0.74 CYP3A4 (0.35) POLBALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL301210 0.74 CYP3A4 (0.35) POLBALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL4885181 0.70 ACHE (0.38) MAPTALDH1A1
SCHEMBL10259028 0.70 ACHE (0.38) MAPTALDH1A1
SCHEMBL20906761 0.70 KDM4E (0.31) POLBCNR2GPR55ALDH1A1KDM4E
SCHEMBL20021638 0.70 CA1 (0.38) POLBMAPTALDH1A1KDM4ESMN1; SMN2

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 5 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-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
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 POLB 3136/4885CNR2 1324/4885GPR55 1222/4885

“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.

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