SCHEMBL15906134

SCHEMBL15906134

COc1ccc(CN2C(=O)CCC2=O)cc1-c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ PDE4B Q07343 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 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
SCHEMBL15906095 0.95 KMT2A (0.46) KMT2APDE4BALDH1A1HDAC7LMNA
SCHEMBL15906128 0.85 HTT (0.50) KMT2AHDAC7LMNAMAPTTP53
SCHEMBL15906127 0.84 PDE4B (0.47) KMT2APDE4BPOLBMEN1HCRTR1
SCHEMBL13578437 0.84 KMT2A (0.44) KMT2APDE4BALDH1A1HDAC7PTGDR2
SCHEMBL8068535 0.84 HDAC7 (0.49) KMT2APDE4BALDH1A1HDAC7PTGDR2
SCHEMBL15906129 0.84 PDE4B (0.47) KMT2APDE4BPOLBMEN1HCRTR1
SCHEMBL3791606 0.83 ALDH1A1 (0.45) KMT2APDE4BALDH1A1MAPTKDM4E
SCHEMBL15906119 0.81 TP53 (0.53) ALDH1A1MAPTTP53TDP1
SCHEMBL8071515 0.80 HDAC7 (0.45) KMT2APDE4BALDH1A1HDAC7HCRTR1
SCHEMBL15906091 0.80 HCRTR2 (0.47) HCRTR1HCRTR2

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 KMT2A 1434/4885PDE4B 2/4885ALDH1A1 150/4885

“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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