SCHEMBL3620189

SCHEMBL3620189

CC(O)(c1ccc2c(c1)CCCCN2)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP4F2 P78329 1/20 0.35

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
SCHEMBL3625824 0.85 GAA (0.57) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL7385186 0.82 GAA (0.52) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL19185633 0.82 GAA (0.49) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL6490339 0.81 GAA (0.62) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL3717613 0.77 GAA (0.57) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL761229 0.77 GAA (0.53) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL24347717 0.74 GAA (0.51) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL11358716 0.74 DRD2 (0.51) GAAKDM4EMAPTALOX15HSD17B10
SCHEMBL6247150 0.73 DRD2 (0.75) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL8737631 0.72 MAPT (0.52) GAAKDM4EMAPTALDH1A1LMNA

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 3 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
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 GAA 3816/4885KDM4E 1452/4885MAPT 4275/4885

“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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