SCHEMBL12703271

SCHEMBL12703271

CCOc1cc(CC(=O)OC)cc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 5/20 0.56
▸ LTB4R2 Q9NPC1 5/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ TP53 P04637 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ALOX5 P09917 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ HSP90AB1 P08238 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46

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
SCHEMBL490786 0.94 MEN1 (0.59) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL9204780 0.91 LTB4R (0.55) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL1592618 0.87 HSP90AB1 (0.61) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL11891941 0.86 MEN1 (0.50) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL4852083 0.86 MEN1 (0.56) LTB4RLTB4R2MEN1KMT2AALOX5
SCHEMBL348012 0.85 MRGPRX4 (0.52) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL10077742 0.85 PPARG (0.53) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL2968381 0.85 MEN1 (0.49) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL1593105 0.84 MEN1 (0.51) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL2848161 0.84 MAOB (0.60) LTB4RLTB4R2MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. 2011-04-21 — — 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-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS PSEN1, PSEN2, BACE1 LTB4R 1814/4885LTB4R2 1969/4885MEN1 3673/4885

“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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