SCHEMBL4154296

SCHEMBL4154296

N=CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
KCNA3 P22001 1/20 0.50
LTA4H P09960 5/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
PLA2G2A P14555 1/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL1445312 0.79 AOC3 (0.58) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL419305 0.79 AOC3 (0.78) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL419306 0.79 AOC3 (0.78) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL1157275 0.75 AOC3 (0.54) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL16371575 0.75 AOC3 (0.54) AOC3KCNA3TSHRTAAR1ALDH1A1
SCHEMBL8526568 0.75 AOC3 (0.54) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL50487 0.75 AOC3 (0.54) AOC3KCNA3LTA4HTAAR1ALDH1A1
SCHEMBL5709101 0.75 AOC3 (0.54) AOC3KCNA3LTA4HTSHRTAAR1
SCHEMBL3625819 0.75 AOC3 (0.54) AOC3KCNA3LTA4HTAAR1ALDH1A1
SCHEMBL3184428 0.75 AOC3 (0.54) AOC3KCNA3LTA4HTSHRTAAR1

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US claimed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R AOC3 3492/4885KCNA3 3470/4885LTA4H 399/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R AOC3 3492/4885KCNA3 3470/4885LTA4H 399/4885

“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.