SCHEMBL4030099

SCHEMBL4030099

CCOC(COCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 5/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3812462 0.85 KDM4E (0.57) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL14529470 0.85 KDM4E (0.57) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL3843176 0.84 KDM4E (0.56) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL4024045 0.83 KDM4E (0.55) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL13997241 0.83 HPGD (0.55) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL3820409 0.83 KDM4E (0.55) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL14529468 0.82 KDM4E (0.56) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL27689609 0.82 KDM4E (0.58) HPGDKDM4EALDH1A1HSD17B10TSHR
SCHEMBL14529460 0.81 KDM4E (0.55) HPGDKDM4EALDH1A1HSD17B10TSHR
Formic Acid SCHEMBL4385081 0.81 KDM4E (0.53) HPGDKDM4EALDH1A1HSD17B10TSHR

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
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 US disclosed
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-11-16 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-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections IL17A, IL15, CASP14 HPGD 1966/4885KDM4E 1422/4885ALDH1A1 3802/4885

“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.