SCHEMBL3302299

SCHEMBL3302299

CCCCCCCCOc1ccc(O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.70
LTA4H P09960 2/20 0.61
ADRB2 P07550 1/20 0.57
CNR2 P34972 2/20 0.56
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
PLA2G4B P0C869 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7054543 1.00 NR5A1 (0.70) NR5A1LTA4HADRB2CNR2TSHR
SCHEMBL31490079 1.00 NR5A1 (0.70) NR5A1LTA4HADRB2CNR2TSHR
SCHEMBL11346377 1.00 NR5A1 (0.70) NR5A1LTA4HADRB2CNR2TSHR
SCHEMBL26548854 1.00 NR5A1 (0.70) NR5A1LTA4HADRB2CNR2TSHR
SCHEMBL1053968 0.94 ADRB2 (0.62) NR5A1LTA4HADRB2CNR2MEN1
SCHEMBL1050330 0.86 LTA4H (0.60) NR5A1LTA4HADRB2MEN1NPC1
SCHEMBL9008243 0.86 NR5A1 (0.61) NR5A1LTA4HCNR2TSHRTP53
SCHEMBL4963128 0.86 NR5A1 (0.66) NR5A1LTA4HCNR2TSHRTP53
SCHEMBL9698564 0.86 NR5A1 (0.61) NR5A1LTA4HCNR2TSHRTP53
SCHEMBL13298116 0.86 NR5A1 (0.66) NR5A1LTA4HCNR2TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
US-3930862-A DYE DEVELOPER TRANSFER PHOTOSENSITIVE MATERIAL WITH SUBSTITUTED CATECHOL AUXILIARY DEVELOPER FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US claimed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO disclosed
US-3930862-A DYE DEVELOPER TRANSFER PHOTOSENSITIVE MATERIAL WITH SUBSTITUTED CATECHOL AUXILIARY DEVELOPER FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 NR5A1 2668/4885LTA4H 2177/4885ADRB2 274/4885

“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.