SCHEMBL258728

SCHEMBL258728

B.COc1c(C)cc(C)cc1[P@](C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.30
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30

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
SCHEMBL258715 1.00 MAPT (0.35) MAPTL3MBTL1ESR1ESR2LMNA
SCHEMBL258758 0.81 ESR1 (0.34) ESR1ESR2KDM4EALDH1A1MAPK1
SCHEMBL259634 0.79 MAPT (0.37) MAPTL3MBTL1LMNAACHEHTT
SCHEMBL16488059 0.73 ACHE (0.44) MAPTL3MBTL1LMNAACHEKDM4E
SCHEMBL14050885 0.70 MAPT (0.31) MAPTL3MBTL1LMNA
SCHEMBL3418221 0.70 CYP1A2 (0.38) MAPTL3MBTL1LMNAACHENPSR1
SCHEMBL25240456 0.70 ACHE (0.41) MAPTL3MBTL1ACHEALDH1A1RAPGEF4
SCHEMBL3785328 0.69 ESR1 (0.45) ESR1ESR2LMNAACHEALDH1A1
SCHEMBL2693261 0.68 CYP1A2 (0.36) MAPTL3MBTL1LMNAACHEHTT
SCHEMBL3791862 0.68 CA1 (0.46) L3MBTL1ESR1ESR2LMNAHTT

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-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

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 MAPT 4587/4885L3MBTL1 2556/4885ESR1 1081/4885

“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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