SCHEMBL5457607

SCHEMBL5457607

O=C(CCl)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.54
NPC1 O15118 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTGER1 P34995 2/20 0.51
S1PR5 Q9H228 1/20 0.50
EGFR P00533 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
ACP1 P24666 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL9341900 0.87 NPC1 (0.54) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4374620 0.87 HPGD (0.64) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4161097 0.86 NPC1 (0.53) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL31031135 0.86 MRGPRX4 (0.56) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL229472 0.85 MRGPRX4 (0.69) MRGPRX4HPGDRAB9APTGER1S1PR5
SCHEMBL6808366 0.85 EGFR (0.53) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8768764 0.84 MRGPRX4 (0.58) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4747320 0.83 MAOB (0.59) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2744895 0.83 PARP10 (0.59) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12692658 0.83 HPGD (0.56) MRGPRX4NPC1HPGDRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C MRGPRX4 441/4885NPC1 1337/4885HPGD 1162/4885

“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.