SCHEMBL15782845

SCHEMBL15782845

CC(C)(C)OC(=O)Oc1c(C(=O)Oc2ccccc2)c(CBr)cc2ccoc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.34
ELANE P08246 1/20 0.33
MAPT P10636 6/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 3/20 0.31
NSD2 O96028 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 1/20 0.30

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
SCHEMBL18598724 0.87 KDM4E (0.34) ELANEMAPTPOLBKDM4EHSD17B10
SCHEMBL18258082 0.85 POLB (0.34) KCNA3ELANEMAPTPOLBKDM4E
SCHEMBL15782825 0.80 MAPT (0.36) ELANEMAPTPOLBKDM4ETDP1
SCHEMBL10161423 0.80 MAPT (0.36) ELANEMAPTPOLBKDM4EGAA
SCHEMBL14220489 0.80 MAPT (0.34) ELANEMAPTLMNAGAANPC1
SCHEMBL12948220 0.79 ALDH1A1 (0.43) ELANEMAPTKDM4ETDP1LMNA
SCHEMBL15782829 0.78 ACLY (0.36) ELANEMAPTRAB9AL3MBTL1
SCHEMBL15782826 0.78 BRD4 (0.33) ELANEMAPTKDM4EALDH1A1
SCHEMBL10161473 0.76 ELANE (0.31) ELANE
SCHEMBL12948229 0.76 MAPT (0.40) ELANEMAPTKDM4ETDP1ALDH1A1

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-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KCNA3 4194/4885ELANE 4005/4885MAPT 990/4885

“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.