SCHEMBL13063388

SCHEMBL13063388

CCc1cc(C2CCCCC2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.49
PDE4A P27815 10/20 0.49
PDE4C Q08493 7/20 0.49
PDE4D Q08499 7/20 0.49
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HTR2A P28223 1/20 0.46
HSD17B1 P14061 1/20 0.45
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
VEGFA P15692 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CREBBP Q92793 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
SCHEMBL11152155 0.86 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DPPARG
SCHEMBL13018934 0.83 PPARG (0.43) PDE4BPDE4APDE4CPDE4DPPARG
SCHEMBL6269720 0.83 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPPARG
SCHEMBL20155928 0.82 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL9325871 0.81 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL8681866 0.81 PPARG (0.45) PPARGPPARDPPARAEPHX2CYP3A4
SCHEMBL8682989 0.81 PPARG (0.45) PPARGPPARDPPARAEPHX2CYP3A4
SCHEMBL8686864 0.81 PPARG (0.45) PPARGPPARDPPARAEPHX2CYP3A4
SCHEMBL7723424 0.79 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL8683979 0.79 PPARG (0.44) PDE4BPDE4APDE4CPDE4DPPARG

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-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 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 (2 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 PDE4B 2366/4885PDE4A 2294/4885PDE4C 2626/4885
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 PDE4B 2366/4885PDE4A 2294/4885PDE4C 2626/4885

“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.