SCHEMBL3625824

SCHEMBL3625824

OC(c1ccc2c(c1)CCCCN2)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NR1H3 Q13133 6/20 0.43
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NR1H2 P55055 3/20 0.40
▸ RORC P51449 5/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 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
SCHEMBL6490339 0.95 GAA (0.62) GAAKDM4EMAPTNR1H3ALOX15
SCHEMBL11358716 0.89 DRD2 (0.51) GAAKDM4EMAPTNR1H3ALOX15
SCHEMBL3620189 0.85 GAA (0.58) GAAKDM4EMAPTALOX15HSD17B10
SCHEMBL7385186 0.84 GAA (0.52) GAAKDM4EMAPTALOX15HSD17B10
SCHEMBL11359502 0.81 GAA (0.47) GAAKDM4EMAPTNR1H3NR1H2
SCHEMBL3623628 0.79 GAA (0.43) GAANR1H3ALOX15HSD17B10NR1H2
SCHEMBL3717613 0.79 GAA (0.57) GAAKDM4EMAPTALOX15HSD17B10
SCHEMBL19185633 0.78 GAA (0.49) GAAKDM4EMAPTALOX15HSD17B10
SCHEMBL11356206 0.77 DRD2 (0.49) GAAKDM4EMAPTNR1H3ALOX15
SCHEMBL3626558 0.77 GAA (0.41) GAANR1H3ALOX15HSD17B10NR1H2

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
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
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
US-4218448-A Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 — — US disclosed
US-4107303-A Antihypertensive hexafluorohydroxyisopropyl benzazepines and benzazocines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-08-15 — — 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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