SCHEMBL15906138

SCHEMBL15906138

COc1ccc(Oc2ccc(N)cc2)c(F)c1-c1cccc(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
FYN P06241 1/20 0.38
MCL1 Q07820 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CREBBP Q92793 1/20 0.38
PDE4D Q08499 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TTR P02766 1/20 0.37
TNFRSF1A P19438 1/20 0.37
SCN9A Q15858 1/20 0.37

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
Hydrochloric Acid SCHEMBL3788956 0.99 CYP1A2 (0.39) CYP1A2POLBCYP3A4ALDH1A1GAA
SCHEMBL15906139 0.90 MEN1 (0.43) CYP1A2POLBCYP3A4ALDH1A1GAA
SCHEMBL4323866 0.85 MAOB (0.46) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL3467069 0.81 ALDH1A1 (0.38) ALDH1A1GAALMNAMAPTFYN
SCHEMBL8072112 0.81 SMN1; SMN2 (0.41) CYP1A2CYP3A4ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL3792067 0.80 SMN1; SMN2 (0.40) CYP1A2CYP3A4ALDH1A1GAASMN1; SMN2
SCHEMBL3790829 0.79 RELA (0.45) POLBALDH1A1GAALMNAMAPT
SCHEMBL4323992 0.76 ALDH1A1 (0.43) ALDH1A1GAALMNAMAPTFYN
SCHEMBL3786454 0.74 KDM4C (0.50) POLBALDH1A1GAALMNAMAPT
SCHEMBL3466329 0.73 ALDH1A1 (0.45) POLBALDH1A1GAASMN1; SMN2LMNA

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 CYP1A2 173/4885POLB 3866/4885CYP3A4 181/4885

“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.