SCHEMBL6458347

SCHEMBL6458347

O=C(CCl)Oc1ccc(C(=O)CCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.55
ALDH1A1 P00352 5/20 0.52
HIF1A Q16665 4/20 0.52
TRPA1 O75762 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ESR1 P03372 2/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HDAC3 O15379 1/20 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
SCHEMBL4095285 0.87 KMT2A (0.52) ALDH1A1HIF1AKMT2ASMN1; SMN2ESR1
SCHEMBL11655934 0.87 HIF1A (0.66) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL28665285 0.87 KMT2A (0.60) ALDH1A1HIF1AKMT2ASMN1; SMN2ESR1
SCHEMBL6691158 0.84 HSD17B10 (0.52) HIF1AMAPK1KMT2ASMN1; SMN2ESR1
SCHEMBL17479830 0.82 GSK3B (0.53) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL10831193 0.82 ELANE (0.56) GSK3BALDH1A1HIF1ATRPA1MAPK1
Clofenoxyde SCHEMBL882741 0.81 GSK3B (0.61) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL11480265 0.80 GSK3B (0.80) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL4643847 0.79 CA1 (0.58) ALDH1A1KMT2AMAPTPOLBRAB9A
SCHEMBL10768902 0.79 KMT2A (0.49) GSK3BALDH1A1HIF1AKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250944-A1 Synthesis and uses of synephrine derivatives SYNTECH (SSPF) INTERNATIONAL INC. 2005-11-10 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-20050250944-A1 Synthesis and uses of synephrine derivatives ADRB3, ADRB2, ADRB1 GSK3B 191/4885ALDH1A1 3209/4885HIF1A 3823/4885

“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.