SCHEMBL3623893

SCHEMBL3623893

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.49
ALDH1A1 P00352 1/20 0.45
RORC P51449 12/20 0.44
NR1H2 P55055 2/20 0.44
NR1I2 O75469 1/20 0.44
NOTUM Q6P988 1/20 0.43
AVPR2 P30518 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 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
SCHEMBL3617770 0.86 NR1H3 (0.53) NR1H3RORCNR1H2NR1I2
SCHEMBL3623891 0.84 NR1H3 (0.52) NR1H3RORCNR1H2NR1I2NOTUM
SCHEMBL3627751 0.83 NR1H3 (0.55) NR1H3RORCNR1I2
SCHEMBL11605696 0.83 NR1H3 (0.54) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL11607914 0.82 NOTUM (0.64) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL11479804 0.81 NR1H3 (0.52) NR1H3RORCNR1H2NR1I2NOTUM
SCHEMBL3627747 0.80 NR1H3 (0.58) NR1H3ALDH1A1RORCNR1H2
SCHEMBL11610638 0.79 NR1H3 (0.54) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL11468470 0.78 NR1H3 (0.49) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL11472558 0.78 NR1H3 (0.51) NR1H3ALDH1A1RORCNR1H2NR1I2

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 2 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-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 2/4885ALDH1A1 2274/4885RORC 66/4885

“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.