SCHEMBL3473198

SCHEMBL3473198

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.55
NR1H2 P55055 3/20 0.55
NR1H3 Q13133 3/20 0.55
NR3C2 P08235 1/20 0.51
HPGD P15428 5/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HDAC4 P56524 2/20 0.44
MAPK1 P28482 1/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL3472549 0.99 RXRA (0.56) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3470736 0.97 RXRA (0.56) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3472774 0.91 NR3C2 (0.51) RXRANR1H2NR1H3NR3C2
SCHEMBL3474534 0.91 RXRA (0.50) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3471325 0.91 RXRA (0.52) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3472082 0.90 RXRA (0.53) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3472836 0.90 RXRA (0.53) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3472038 0.90 RXRA (0.58) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3471233 0.90 RXRA (0.56) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3474689 0.90 RXRA (0.49) RXRANR1H2NR1H3NR3C2MEN1

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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.