SCHEMBL3619484

SCHEMBL3619484

O=C(OCc1ccccc1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RORC P51449 12/20 0.48
NR1H2 P55055 2/20 0.43
NR1I2 O75469 1/20 0.43
AVPR2 P30518 1/20 0.43
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42

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
SCHEMBL13317335 0.92 NPC1 (0.54) NR1H3NPC1RAB9AL3MBTL1RORC
SCHEMBL3621272 0.84 NR1H3 (0.58) NR1H3RAB9ARORCNR1H2NR1I2
SCHEMBL3623583 0.82 NR1H3 (0.56) NR1H3NPC1RAB9ARORCNR1H2
SCHEMBL3627751 0.82 NR1H3 (0.55) NR1H3RORCNR1I2
SCHEMBL3626841 0.81 NR1H3 (0.61) NR1H3RAB9ARORCNR1H2AVPR2
SCHEMBL3617770 0.80 NR1H3 (0.53) NR1H3RORCNR1H2NR1I2
SCHEMBL3625667 0.80 NR1H3 (0.55) NR1H3NPC1RAB9AL3MBTL1RORC
SCHEMBL3618013 0.79 NR1H3 (0.51) NR1H3RORCNR1H2NR1I2AVPR2
SCHEMBL3626787 0.79 NR1H3 (0.49) NR1H3RORCNR1H2NR1I2PDK1
SCHEMBL13349382 0.78 ALDH1A1 (0.64) NPC1RAB9AL3MBTL1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB NR1H3 2/4885NPC1 105/4885RAB9A 2285/4885

“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.