SCHEMBL5069111

SCHEMBL5069111

Cc1cc2ccccc2n1-c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
PTGER1 P34995 13/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 2/20 0.41
S1PR5 Q9H228 1/20 0.41
CYP2C9 P11712 2/20 0.40

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
SCHEMBL5070843 0.81 RAB9A (0.56) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14319935 0.81 MET (0.35) KMT2ASMN1; SMN2
SCHEMBL1013987 0.76 PTGER1 (0.44) MRGPRX4PTGER1CYP2C9
SCHEMBL171841 0.75 MRGPRX4 (0.68) MRGPRX4PTGER1STAT3HTTSMN1; SMN2
SCHEMBL5066629 0.75 MEN1 (0.50) MRGPRX4PTGER1MEN1NPC1RAB9A
SCHEMBL27503015 0.75 MAPT (0.41) MRGPRX4PTGER1KDM1AS1PR5
SCHEMBL5066618 0.73 NPC1 (0.56) MEN1NPC1RAB9AKMT2AHTT
SCHEMBL2007034 0.73 MAPT (0.43) MRGPRX4PTGER1STAT3HTTSMN1; SMN2
SCHEMBL5066623 0.73 RAB9A (0.42) MRGPRX4PTGER1MEN1NPC1RAB9A
SCHEMBL5066622 0.73 RAB9A (0.42) MRGPRX4PTGER1MEN1NPC1RAB9A

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
EP-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP disclosed
US-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents WYETH (US) 2007-10-25 US disclosed
US-7250440-B2 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2007-07-31 US disclosed
CN-1867329-A (4-hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivative as estrogenic agents WYETH CORP (US) 2006-11-22 CN disclosed
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2005-03-17 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-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents ESR1, ESR2, GPER1 MRGPRX4 1260/4885PTGER1 85/4885MEN1 2305/4885
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents ESR1, ESR2, GPER1 MRGPRX4 1260/4885PTGER1 85/4885MEN1 2305/4885

“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.