SCHEMBL12979602

SCHEMBL12979602

COC(=O)c1cc(-c2ccc(Br)cc2C)n(Cc2cccc(Cl)c2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 10/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC22A12 Q96S37 2/20 0.41
▸ SLC16A3 O15427 4/20 0.38
▸ SLC16A1 P53985 4/20 0.38
▸ MCTS1 Q9ULC4 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
SCHEMBL12979592 0.84 MALT1 (0.48) PTGER1MEN1RAB9AKMT2A
SCHEMBL12979599 0.82 NR1H2 (0.49) MEN1NPC1RAB9AKMT2ASLC22A12
SCHEMBL31130145 0.74 SLC16A3 (0.63) MEN1NPC1RAB9AKMT2ASLC16A3
SCHEMBL31130236 0.73 SLC16A3 (0.52) PTGER1MEN1NPC1RAB9AKMT2A
SCHEMBL18307410 0.73 SLC16A3 (0.60) MEN1NPC1RAB9AKMT2ASLC16A3
SCHEMBL14622603 0.71 KMT2A (0.48) PTGER1MEN1NPC1RAB9AKMT2A
SCHEMBL20239469 0.71 SLC16A3 (0.63) MEN1NPC1RAB9AKMT2ASLC16A3
SCHEMBL20239628 0.70 SLC16A3 (0.66) SLC16A3SLC16A1MCTS1
SCHEMBL29819593 0.70 SLC16A3 (0.66) SLC16A3SLC16A1MCTS1
SCHEMBL3712001 0.70 MALT1 (0.51) PTGER1MEN1KMT2ASLC16A3SLC16A1

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 5 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-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
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO 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 PTGER1 117/4885MEN1 3666/4885NPC1 41/4885

“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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