SCHEMBL730813

SCHEMBL730813

COc1c[c]cc(OCC(F)F)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP1A2 P05177 3/20 0.36
LMNA P02545 2/20 0.36
AGTR1 P30556 1/20 0.36
SCN4A P35499 2/20 0.35
EDNRA P25101 3/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL733057 0.82 CA1 (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL732633 0.81 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL28451770 0.79 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL730845 0.79 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL731429 0.74 ALDH1A1 (0.42) LMNAKDM4ESMN1; SMN2
SCHEMBL28080934 0.73 LMNA (0.37) CYP1A2LMNAAGTR1EDNRAKDM4E
SCHEMBL16720145 0.71 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL10034991 0.70 KDM4E (0.59) CYP1A2LMNASCN4AALOX15KDM4E
SCHEMBL733076 0.70 ACHE (0.40) KDM4ESMN1; SMN2KMT2A
SCHEMBL28888291 0.69 ALOX15 (0.39) CYP1A2LMNASCN4AALOX15KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 PDE4A 4439/4885PDE4B 4365/4885PDE4C 4583/4885

“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.