SCHEMBL3626460

SCHEMBL3626460

O=C(Cc1ccccc1)N1CCOCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ MLYCD O95822 2/20 0.44
▸ NR1H3 Q13133 6/20 0.43
▸ RORC P51449 6/20 0.43
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ FAAH O00519 2/20 0.39
▸ NAAA Q02083 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL3625051 0.83 NR1H3 (0.58) ALDH1A1MLYCDNR1H3RORCNR1H2
SCHEMBL3621272 0.83 NR1H3 (0.58) ALDH1A1NR1H3RORCCYP11B1CYP11B2
SCHEMBL3618022 0.81 ALDH1A1 (0.46) ALDH1A1NR1H3RORCCYP11B1CYP11B2
SCHEMBL3624457 0.80 RORC (0.45) MLYCDNR1H3RORCNR1H2
SCHEMBL3628349 0.78 MLYCD (0.44) ALDH1A1MLYCDNR1H3RORCNR1H2
SCHEMBL3619476 0.78 RORC (0.57) ALDH1A1NR1H3RORCNR1H2
SCHEMBL3624100 0.75 NR1H3 (0.51) ALDH1A1NR1H3RORCNR1H2MAPT
SCHEMBL3625718 0.75 ALDH1A1 (0.49) ALDH1A1NR1H3RORCCYP11B1CYP11B2
SCHEMBL3628809 0.74 NR1H3 (0.50) ALDH1A1MLYCDNR1H3RORCNR1H2
SCHEMBL13317247 0.74 ALDH1A1 (0.51) ALDH1A1NR1H3CYP11B1CYP11B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — EP 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
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
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 ALDH1A1 2274/4885MLYCD 3385/4885NR1H3 2/4885

“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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