SCHEMBL3628349

SCHEMBL3628349

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 12/20 0.44
▸ NR1H3 Q13133 5/20 0.40
▸ NR1H2 P55055 3/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ RORC P51449 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NR1I2 O75469 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
SCHEMBL11610638 0.81 NR1H3 (0.54) MLYCDNR1H3NR1H2NOTUMRORC
SCHEMBL3626992 0.80 NR1H3 (0.42) MLYCDNR1H3NR1H2NOTUMRORC
SCHEMBL3626460 0.78 ALDH1A1 (0.46) MLYCDNR1H3NR1H2RORCALDH1A1
SCHEMBL3624457 0.78 RORC (0.45) MLYCDNR1H3NR1H2RORCNR1I2
SCHEMBL3626261 0.75 RORC (0.53) MLYCDNR1H3NR1H2NOTUMRORC
SCHEMBL3623987 0.73 NOTUM (0.45) NR1H3NR1H2NOTUMRORCALDH1A1
SCHEMBL26763830 0.71 NOTUM (0.61) NOTUMALDH1A1
SCHEMBL3619548 0.70 NR1H3 (0.56) NR1H3NR1H2NOTUMRORCNR1I2
SCHEMBL3626532 0.70 NR1H3 (0.56) NR1H3NR1H2NOTUMRORCNR1I2
SCHEMBL3619551 0.70 NR1H3 (0.56) NR1H3NR1H2NOTUMRORCNR1I2

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 7 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
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 MLYCD 3385/4885NR1H3 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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