SCHEMBL4908867

SCHEMBL4908867

CCn1cc(C(=O)O)c(=O)c2cc(OCCOCCOCCCl)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 4/20 0.67
HPGD P15428 4/20 0.67
HSD17B10 Q99714 3/20 0.67
TSHR P16473 2/20 0.67
RAB9A P51151 1/20 0.67
LMNA P02545 7/20 0.51
HTT P42858 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRM1 P11229 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
THRB P10828 1/20 0.41
BRD4 O60885 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
SCHEMBL4903449 0.92 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL14022612 0.89 KDM4E (0.67) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4909006 0.89 LMNA (0.61) ALDH1A1KDM4EHPGDHSD17B10TSHR
Formic Acid SCHEMBL4907287 0.86 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3983028 0.84 KDM4E (0.72) ALDH1A1KDM4EHPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL4280638 0.84 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4906790 0.81 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL395397 0.81 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4903177 0.81 LMNA (0.53) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL11236984 0.80 KDM4E (0.72) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-09 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-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections CYP51A1, CUTA, MALT1 ALDH1A1 3491/4885KDM4E 620/4885HPGD 3347/4885

“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.