SCHEMBL19602350

SCHEMBL19602350

C=CCc1c(C(=O)OC)ccc(COC(C)=O)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CA2 P00918 3/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SRD5A1 P18405 1/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL19602442 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL19608383 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL19602344 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL19602343 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL19602571 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL19602362 0.74 SOS1 (0.41) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL31618373 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAKDM4EKMT2A
SCHEMBL19602486 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL22032210 0.73 CA12 (0.38) ALDH1A1HSD17B10CA2CA12CA1
SCHEMBL9247111 0.72 KDM4E (0.40) ALDH1A1HSD17B10CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 — — US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 — — US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 — — 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 (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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ALDH1A1 585/4885HSD17B10 62/4885CA2 2852/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ALDH1A1 585/4885HSD17B10 62/4885CA2 2852/4885

“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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