SCHEMBL12190892

SCHEMBL12190892

CC(C)Oc1ccc(CC(C)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACACB O00763 2/20 0.45
ALDH1A3 P47895 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KDM4C Q9H3R0 2/20 0.43
KDM4A O75164 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPA1 O75762 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL6196209 0.83 POLB (0.55) POLBGAACYP1A2CYP2D6CYP2C19
SCHEMBL24630912 0.81 SLC6A4 (0.64) CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL13072262 0.81 SLC6A4 (0.64) CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL12313578 0.79 SLC6A4 (0.68) SLC6A4
SCHEMBL14449300 0.78 POLB (0.59) POLBGAACYP1A2CYP2D6CYP2C19
SCHEMBL13003657 0.78 POLB (0.50) POLBGAACYP1A2CYP2D6CYP2C19
SCHEMBL24973088 0.78 NQO1 (0.56) ACACB
SCHEMBL125543 0.76 ALDH1A3 (0.64) POLBGAACYP1A2CYP2D6CYP2C19
SCHEMBL10508149 0.76 POLB (0.49) POLBGAACYP1A2CYP2D6CYP2C19
SCHEMBL16383175 0.76 SLC6A4 (0.69) CYP1A2CYP2D6CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034364-B2 Implantable medical device comprising a pro-healing(ester-amide) ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-10-11 US disclosed
US-8030436-B2 Poly(ester-amide) elastomers and their use with implantable medical devices ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-10-04 US disclosed
US-20100217379-A1 IMPLANTABLE MEDICAL DEVICE COMPRISING A PRO-HEALING POLY(ESTER-AMIDE) ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2010-08-26 US disclosed
US-7731987-B2 everolimus drug reservoir layer comprising PEA-TEMPO (a poly(ester-amide) to which 2,2,6,6-tetramethyl-4-aminopiperidineoxyl has been covalently appended); PEA-TEMPO has very desirable in vivo properties, it is quite permeable to everolimus; sustained release; stent; for drug delivery ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2010-06-08 US disclosed
US-20090181063-A1 IMPLANTABLE MEDICAL DEVICE COMPRISING A PRO-HEALING POLY(ESTER-AMIDE) ABBOTT CARDIOVASCULAR SYSTEMS INC. 2009-07-16 US disclosed
US-20080014245-A1 Drug-eluting implantable medical device with free radical scavenger for protecting drugs during sterilization and related method ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2008-01-17 US disclosed
US-20080014241-A1 everolimus drug reservoir layer comprising PEA-TEMPO (a poly(ester-amide) to which 2,2,6,6-tetramethyl-4-aminopiperidineoxyl has been covalently appended); PEA-TEMPO has very desirable in vivo properties, it is quite permeable to everolimus; sustained release; stent; for drug delivery ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2008-01-17 US disclosed
US-20080014236-A1 Poly(ester-amide) elastomers and their use with implantable medical devices ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2008-01-17 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-20100217379-A1 IMPLANTABLE MEDICAL DEVICE COMPRISING A PRO-HEALING POLY(ESTER-AMIDE) PAM, PUF60, ATF4 POLB 3125/4885GAA 1874/4885CYP1A2 2189/4885
US-20090181063-A1 IMPLANTABLE MEDICAL DEVICE COMPRISING A PRO-HEALING POLY(ESTER-AMIDE) PAM, PUF60, ATF4 POLB 3125/4885GAA 1874/4885CYP1A2 2189/4885

“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.