SCHEMBL3623628

SCHEMBL3623628

OC(c1ccc2c(c1)COCCN2)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ NR1H3 Q13133 11/20 0.39
▸ NR1H2 P55055 8/20 0.39
▸ RORC P51449 3/20 0.38
▸ MLYCD O95822 4/20 0.36
▸ AR P10275 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ PGR P06401 1/20 0.33

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
SCHEMBL7383741 0.85 PARP1 (0.42) GAAAR
SCHEMBL6490339 0.81 GAA (0.62) GAANR1H3NR1H2RORCAR
SCHEMBL11358716 0.80 DRD2 (0.51) GAANR1H3NR1H2RORCAR
SCHEMBL3625824 0.79 GAA (0.57) GAANR1H3NR1H2RORCAR
SCHEMBL3626489 0.77 TRPV1 (0.43) GAANR1H3NR1H2RORCMLYCD
SCHEMBL3626558 0.74 GAA (0.41) GAANR1H3NR1H2RORCAR
SCHEMBL25429798 0.73 FABP6 (0.38) GAAALOX15KMT2AHSD17B10
SCHEMBL11359502 0.72 GAA (0.47) GAANR1H3NR1H2RORCAR
SCHEMBL11436661 0.70 GAA (0.50) GAAALOX15HSD17B10
SCHEMBL20804966 0.70 AHR (0.40) GAAHSD17B10

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 4 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
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

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 GAA 3816/4885NR1H3 2/4885NR1H2 1/4885

“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.

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