SCHEMBL3463706

SCHEMBL3463706

COc1cccc(CCC(=O)CCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
FFAR1 O14842 2/20 0.53
RAB9A P51151 1/20 0.51
ALOX5 P09917 1/20 0.51
PLA2G4A P47712 1/20 0.50
PTGFR P43088 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL9663068 0.96 HDAC1 (0.60) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL7332474 0.89 TAAR1 (0.61) HDAC1HDAC6MTNR1AMTNR1BRAB9A
SCHEMBL29669893 0.88 HDAC1 (0.63) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL7758273 0.88 HDAC1 (0.63) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL346302 0.88 FFAR1 (0.65) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL28188589 0.87 HDAC1 (0.70) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL1206248 0.87 HDAC1 (0.70) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL7317315 0.86 EPHX2 (0.62) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL25035334 0.85 HDAC1 (0.72) CYP1A2HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL9663074 0.85 HDAC1 (0.72) CYP1A2HDAC1HDAC6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 US disclosed
EP-1885359-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-02-13 EP disclosed
WO-2006128851-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP1A2 42/4885HDAC1 744/4885HDAC6 2189/4885

“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.