SCHEMBL15906158

SCHEMBL15906158

COc1ccc(CC(C(C)=O)C(C)=O)cc1-c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.48
▸ PDE4D Q08499 1/20 0.47
▸ SYK P43405 1/20 0.44
▸ CTSA P10619 6/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ CASR P41180 1/20 0.41
▸ TPH1 P17752 3/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL8028169 0.84 PDE4D (0.49) LDHAPDE4DCTSAALOX15PKM
SCHEMBL3465893 0.82 AKR1C3 (0.52) LDHAPDE4DPDE4BALDH1A1LMNA
SCHEMBL15906176 0.81 GAA (0.55) PDE4DCTSAALDH1A1LMNATP53
SCHEMBL15906170 0.77 HTR2C (0.46) PDE4DCASRPDE4BALDH1A1LMNA
SCHEMBL15906086 0.77 SMN1; SMN2 (0.45) PDE4DCASRPDE4BALDH1A1LMNA
SCHEMBL20721728 0.76 LDHA (0.78) LDHAALOX15PKMALDH1A1LMNA
SCHEMBL4725412 0.76 MDM2 (0.50) ALDH1A1TP53HTT
SCHEMBL15906120 0.74 ACHE (0.52) SYKCTSAALDH1A1LMNATP53
SCHEMBL15906157 0.74 PDE4D (0.48) PDE4DCTSACASRPDE4BALDH1A1
SCHEMBL15906108 0.74 PDE4D (0.48) PDE4DSYKCASRTPH1PDE4B

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 4 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
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 — — US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 — — 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 (3 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B LDHA 1338/4885PDE4D 7/4885SYK 2142/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B LDHA 1775/4885PDE4D 7/4885SYK 1531/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B LDHA 1338/4885PDE4D 7/4885SYK 2142/4885

“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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