SCHEMBL20575211

SCHEMBL20575211

FC(F)(F)CCCc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
HTR2A P28223 1/20 0.46
HMOX1 P09601 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
IDO1 P14902 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PLAAT3 P53816 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
SCHEMBL23578345 0.94 TAAR1 (0.45) TAAR1HTR2AHMOX1SIGMAR1PTPN2
SCHEMBL11103061 0.86 TAAR1 (0.50) TAAR1HTR2AIDO1NPC1SMN1; SMN2
SCHEMBL31124935 0.80 TAAR1 (0.48) TAAR1IDO1
SCHEMBL28134403 0.80 ESR1 (0.56) TAAR1SIGMAR1L3MBTL1
SCHEMBL4589012 0.78 CYP1A2 (0.46) TAAR1PTPN2PTPN1PTPN6PTPN11
SCHEMBL30024710 0.78 PTPN2 (0.40) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL31124934 0.78 TAAR1 (0.57) TAAR1PTPN2PTPN1PTPN6PTPN11
SCHEMBL7904900 0.78 TAAR1 (0.62) TAAR1HTR2AHMOX1SIGMAR1IDO1
SCHEMBL5238701 0.78 TAAR1 (0.62) TAAR1HTR2AHMOX1SIGMAR1IDO1
SCHEMBL8082932 0.77 FAAH (0.48) HTR2ASIGMAR1IDO1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246419-B2 Liver X receptor (LXR) modulators RALEXAR THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
US-20180346427-A1 LIVER X RECEPTOR (LXR) MODULATORS RALEXAR THERAPEUTICS, INC. 2018-12-06 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 (2 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-10246419-B2 Liver X receptor (LXR) modulators NR1H2, NR1H3, NR1H4 TAAR1 640/4885HTR2A 2146/4885HMOX1 645/4885
US-20180346427-A1 LIVER X RECEPTOR (LXR) MODULATORS NR1H2, NR1H3, NR1H4 TAAR1 640/4885HTR2A 2146/4885HMOX1 645/4885

“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.