SCHEMBL15906119

SCHEMBL15906119

COc1ccc(CN2C(=O)C(=O)c3ccccc32)cc1-c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ CES1 P23141 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ BCHE P06276 3/20 0.51
▸ ACHE P22303 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CHRM5 P08912 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CHRM1 P11229 3/20 0.49
▸ ALDH3A1 P30838 2/20 0.49

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
SCHEMBL15906128 0.88 HTT (0.50) TP53MAPTTDP1ALOX15TSHR
SCHEMBL8066228 0.85 HTT (0.48) TP53MAPTCES1ALDH1A1BCHE
SCHEMBL3807673 0.85 ALDH1A1 (0.71) TP53MAPTCES1ALDH1A1BCHE
SCHEMBL18974299 0.81 ALDH1A1 (0.69) TP53MAPTCES1ALDH1A1BCHE
SCHEMBL15906134 0.81 KMT2A (0.48) TP53MAPTALDH1A1TDP1
SCHEMBL15906095 0.79 KMT2A (0.46) TP53MAPTALDH1A1
SCHEMBL15906093 0.78 RXFP1 (0.60) —
SCHEMBL15906189 0.77 KMT2A (0.55) MAPTCYP1A2CYP3A4TSHRHSD17B10
SCHEMBL16302105 0.77 CA12 (0.68) TDP1TSHR
SCHEMBL15906155 0.76 MAPT (0.46) TP53MAPT

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B TP53 4860/4885MAPT 1932/4885CES1 287/4885

“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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