SCHEMBL19004036

SCHEMBL19004036

CC(=O)O[C@H]1[C@H](O[C@H]2C3C=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3[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 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.70
▸ XDH P47989 1/20 0.56
▸ CYP3A4 P08684 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PRKCA P17252 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ELANE P08246 1/20 0.36

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 1.00 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL419313 0.97 HSP90AA1 (0.71) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29425944 0.96 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29426068 0.94 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL23685612 0.93 HSP90AA1 (0.65) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29426089 0.92 HSP90AA1 (0.73) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29425878 0.90 HSP90AA1 (0.80) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL21238175 0.90 HSP90AA1 (0.55) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL419954 0.89 HSP90AA1 (0.60) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL422039 0.89 HSP90AA1 (0.71) HSP90AA1XDHCYP3A4KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959979-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2021-03-30 — — US disclosed
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2020-08-27 — — US disclosed
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
WO-2017103931-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2017-06-22 — — WO 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 (4 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-10959979-B2 Small molecules against cancer CCL2, CXCR2, CCL5 HSP90AA1 856/4885XDH 1678/4885CYP3A4 4168/4885
US-10646465-B2 Small molecules against cancer CCL2, CXCR2, CCL5 HSP90AA1 856/4885XDH 1678/4885CYP3A4 4168/4885
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 HSP90AA1 856/4885XDH 1678/4885CYP3A4 4168/4885
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 HSP90AA1 856/4885XDH 1678/4885CYP3A4 4168/4885

“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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