SCHEMBL5519586

SCHEMBL5519586

c1ccc(COCC2CCC(COc3ccccc3)OC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39

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
SCHEMBL5521779 0.83 HRH4 (0.43) TSHRCTSLCTSBCTSKMEN1
SCHEMBL5527186 0.83 HRH4 (0.43) TSHRCTSLCTSBCTSKMEN1
SCHEMBL5513930 0.83 TAAR1 (0.45) TSHRCTSLCTSBCTSKMEN1
SCHEMBL5518091 0.83 TAAR1 (0.45) TSHRCTSLCTSBCTSKMEN1
SCHEMBL5527189 0.83 HRH4 (0.43) TSHRCTSLCTSBCTSKMEN1
SCHEMBL5513936 0.83 TAAR1 (0.45) TSHRCTSLCTSBCTSKMEN1
SCHEMBL8285769 0.82 TDP1 (0.51) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL30103447 0.81 TAAR1 (0.45) TSHRCTSLCTSBCTSKMEN1
SCHEMBL5722073 0.80 TDP1 (0.60) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL5525141 0.80 TDP1 (0.60) TDP1ALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A TDP1 4329/4885ALDH1A1 1187/4885TP53 3611/4885

“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.