SCHEMBL3626594

SCHEMBL3626594

O=C(CC1C[C@@H]2CC[C@@H]1C2)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 3/20 0.45
▸ RORC P51449 17/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 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
SCHEMBL3626591 1.00 NR1H3 (0.45) NR1H3RORCNR1I2NR1H2KDM4E
SCHEMBL13317333 0.93 ALDH1A1 (0.40) NR1H3RORCKDM4EALDH1A1LMNA
SCHEMBL3618015 0.83 NR1H3 (0.50) NR1H3RORCNR1I2NR1H2
SCHEMBL3623277 0.82 NR1H3 (0.49) NR1H3RORCNR1I2NR1H2
SCHEMBL11605696 0.78 NR1H3 (0.54) NR1H3RORCNR1I2NR1H2ALDH1A1
SCHEMBL3626303 0.78 NR1H3 (0.49) NR1H3RORCNR1I2NR1H2
SCHEMBL11479804 0.77 NR1H3 (0.52) NR1H3RORCNR1I2NR1H2
SCHEMBL3623926 0.77 NR1H3 (0.52) NR1H3RORCNR1I2NR1H2
SCHEMBL11603760 0.76 NR1H3 (0.54) NR1H3RORCNR1I2NR1H2KDM4E
SCHEMBL3624100 0.76 NR1H3 (0.51) NR1H3RORCNR1I2NR1H2ALDH1A1

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
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 — — EP disclosed
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-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 2/4885RORC 66/4885NR1I2 11/4885

“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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