SCHEMBL12979592

SCHEMBL12979592

COC(=O)c1cc(-c2ccc(Br)cc2C)n(Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.48
▸ MARS1 P56192 1/20 0.44
▸ PTGER1 P34995 5/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ P2RY14 Q15391 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL12979602 0.84 PTGER1 (0.43) PTGER1MEN1KMT2ARAB9A
SCHEMBL3712001 0.83 MALT1 (0.51) MALT1MARS1PTGER1CYP1A2MEN1
SCHEMBL24423881 0.79 SMN1; SMN2 (0.50) MALT1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL15579544 0.77 FAAH (0.53) MALT1MARS1CYP1A2MEN1KMT2A
SCHEMBL22054628 0.77 GAA (0.59) PTGER1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL25413418 0.76 FAAH (0.52) MALT1KMT2AFAAHSMN1; SMN2CYP19A1
SCHEMBL27831440 0.75 CA12 (0.59) MALT1
SCHEMBL8368119 0.75 ALDH1A1 (0.42) MALT1MARS1CYP1A2MEN1KMT2A
SCHEMBL8591725 0.75 MALT1 (0.55) MALT1MARS1CYP1A2MEN1KMT2A
SCHEMBL20488594 0.75 SMN1; SMN2 (0.54) MALT1CYP1A2MEN1KMT2ASMN1; 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-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 MALT1 2992/4885MARS1 2365/4885PTGER1 117/4885

“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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