SCHEMBL21238175

SCHEMBL21238175

CC(=O)O[C@H]1[C@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)O[C@@H](C)[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1OC(=O)/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.55
▸ XDH P47989 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ABCB1 P08183 6/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 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
SCHEMBL29733539 0.90 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL19004036 0.90 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL22379851 0.88 HSP90AA1 (0.51) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL419313 0.86 HSP90AA1 (0.71) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL29425944 0.86 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL29426068 0.83 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL23685612 0.83 HSP90AA1 (0.65) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL29426089 0.81 HSP90AA1 (0.73) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL29425878 0.80 HSP90AA1 (0.80) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL422039 0.79 HSP90AA1 (0.71) HSP90AA1XDHKDM4EGLACYP3A4

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-10646465-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2020-05-12 — — US disclosed
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER ALONBIO LTD. (IL) 2019-08-08 — — 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 (2 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-10646465-B2 Small molecules against cancer CCL2, CXCR2, CCL5 HSP90AA1 856/4885XDH 1678/4885KDM4E 2214/4885
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 HSP90AA1 856/4885XDH 1678/4885KDM4E 2214/4885

“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.

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