SCHEMBL3096495

SCHEMBL3096495

O=C(Cc1ccccc1)CC(O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.52
SLC16A3 O15427 1/20 0.47
HIF1A Q16665 4/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRB3 P13945 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 4/20 0.46

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
SCHEMBL3089272 0.85 CNR2 (0.49) RAB9ASLC6A3LMNAMEN1KMT2A
SCHEMBL30217538 0.80 KYNU (0.61) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL4957161 0.80 KYNU (0.61) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL28827890 0.76 HIF1A (0.57) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL3442806 0.76 L3MBTL1 (0.62) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL3093120 0.74 TRPV1 (0.48) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL499451 0.74 HIF1A (0.51) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL7871790 0.74 HIF1A (0.51) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL27278720 0.73 KYNU (0.65) KYNUSLC16A3HIF1AADRB2ADRB1
SCHEMBL9061130 0.72 LMNA (0.54) RAB9ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
EP-2227449-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-15 EP disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 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-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY HSD17B11, HSD17B7, CYP19A1 KYNU 1999/4885SLC16A3 1295/4885HIF1A 395/4885

“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.