SCHEMBL7723660

SCHEMBL7723660

COc1ccc(C2CCCCC2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.49
PDE4A P27815 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
MAPT P10636 2/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
QDPR P09417 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
VEGFA P15692 1/20 0.42

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
SCHEMBL172801 0.98 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL16553704 0.91 QDPR (0.46) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL12856094 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL14492330 0.86 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL9325871 0.85 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL5584588 0.83 NR3C1 (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15314625 0.83 QDPR (0.48) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL18664745 0.83 QDPR (0.48) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL5584591 0.83 HTR2C (0.55) PDE4BQDPRHTR2A
SCHEMBL12961347 0.82 ABCB1 (0.50) SMN1; SMN2CRHBPCRHR2MAPTQDPR

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
WO-2017049176-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-6399653-B1 METABOLISM DIORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-06-04 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS PDE4B 855/4885PDE4A 995/4885PDE4C 1138/4885

“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.