SCHEMBL18213615

SCHEMBL18213615

CCn1cc(C(=O)OC(C)OC(=O)OC(C)C)c(=O)c2cc(F)c(N3CCNCC3)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
CYP2C9 P11712 1/20 0.69
ATP6V1B2 P21281 1/20 0.69
TBXA2R P21731 1/20 0.69
EDNRA P25101 1/20 0.69
TARBP2 Q15633 1/20 0.69
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 7/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 3/20 0.45
BRD4 O60885 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.35

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
SCHEMBL18197026 0.93 LMNA (0.66) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL18197019 0.93 LMNA (0.68) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28530121 0.85 LMNA (0.80) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11026728 0.84 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL16518625 0.84 LMNA (0.85) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11291368 0.83 LMNA (0.76) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL2635855 0.82 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL29384458 0.82 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL33963 0.82 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11284620 0.82 LMNA (0.75) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-20160326165-A1 ALKOXYCARBONYL HEMIACETAL-TYPE ESTER PRODRUG OF PYRIDONE CARBOXYLIC ACID ANTIBACTERIAL DRUG KINKI UNIVERSITY (JP) 2016-11-10 US disclosed
US-20160326165-A1 ALKOXYCARBONYL HEMIACETAL-TYPE ESTER PRODRUG OF PYRIDONE CARBOXYLIC ACID ANTIBACTERIAL DRUG KINKI UNIVERSITY (JP) 2016-11-10 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-20160326165-A1 ALKOXYCARBONYL HEMIACETAL-TYPE ESTER PRODRUG OF PYRIDONE CARBOXYLIC ACID ANTIBACTERIAL DRUG ALPI, CYP2B6, CYP2A6 LMNA 2812/4885CYP2C9 23/4885ATP6V1B2 593/4885

“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.