SCHEMBL17987495

SCHEMBL17987495

COCc1ccc(C(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ACACB O00763 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MIF P14174 1/20 0.41
MMP8 P22894 1/20 0.39
ATM Q13315 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
ADRB3 P13945 1/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL17973930 0.84 ALDH1A1 (0.47) ALDH1A1ESR1ESR2KMT2AMEN1
SCHEMBL28529722 0.84 ESR1 (0.50) ESR1ESR2ACACBCXCR1CXCR2
SCHEMBL5766030 0.83 ALDH1A1 (0.53) ALDH1A1ESR1ESR2KMT2AMEN1
SCHEMBL16577978 0.83 SRC (0.48) ESR1ESR2ACACBATMCXCR1
SCHEMBL3309903 0.82 ESR1 (0.49) ESR1ESR2ACACBKMT2AMIF
SCHEMBL7904948 0.81 ALDH1A1 (0.51) ALDH1A1ESR1ESR2KMT2AMEN1
SCHEMBL8406161 0.80 ESR1 (0.58) ALDH1A1ESR1ESR2KMT2AMEN1
SCHEMBL31579489 0.77 LTA4H (0.60) ALDH1A1ACACBNPC1RAB9ASMN1; SMN2
SCHEMBL10185057 0.76 ALDH1A1 (0.58) ALDH1A1ESR1ESR2KMT2AMEN1
SCHEMBL6839674 0.76 ALDH1A1 (0.51) ALDH1A1ESR1KMT2AMEN1ADRB3

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-20160220689-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES STARPHARMA PTY LTD. (AU) 2016-08-04 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-20160220689-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES CD44, FOLR1, FOLH1 ALDH1A1 610/4885ESR1 4002/4885ESR2 2346/4885

“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.