SCHEMBL14749537

SCHEMBL14749537

COc1ccc(C)c(OCC(C)C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
SCN4A P35499 5/20 0.41
LMNA P02545 3/20 0.41
SCN5A Q14524 3/20 0.41
SCN1A P35498 2/20 0.41
SCN9A Q15858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KCNK3 O14649 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 0.41
GBA1 P04062 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 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
SCHEMBL29707444 0.84 SCN4A (0.52) KCNH2SCN4ALMNASCN5ASCN1A
SCHEMBL16479209 0.82 SCN4A (0.53) KCNH2SCN4ALMNASCN5ASCN1A
SCHEMBL2592551 0.81 TUBB4A (0.41) KCNH2ALDH1A1AOC3GAA
SCHEMBL2590544 0.81 AOC3 (0.38) LMNAALDH1A1MAPTKMT2AAOC3
SCHEMBL1226775 0.78 ALDH1A1 (0.46) LMNACYP1A2ALDH1A1MAPTKMT2A
SCHEMBL29767819 0.78 ALDH1A1 (0.46) LMNACYP1A2ALDH1A1MAPTKMT2A
SCHEMBL29707430 0.74 ALDH1A1 (0.44) KCNH2SCN4ALMNASCN5ASCN1A
SCHEMBL22114346 0.74 SMN1; SMN2 (0.52) LMNACYP1A2TSHRALDH1A1GAA
SCHEMBL3141676 0.73 TUBB1 (0.43) TSHRALDH1A1MAPTKMT2A
SCHEMBL21753940 0.73 ALDH1A1 (0.43) LMNATSHRHTR2AHTR2BALDH1A1

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-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A KCNH2 2580/4885SCN4A 3176/4885LMNA 2433/4885

“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.