SCHEMBL23698351

SCHEMBL23698351

COC(=O)c1cc(Br)c2c(c1O)CCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SOS1 Q07889 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33

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
SCHEMBL30678550 1.00 KDM4E (0.39) KDM4EALDH1A1SOS1MEN1KMT2A
SCHEMBL31115435 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28947251 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL23698910 0.84 KDM4E (0.38) KDM4EALDH1A1SOS1MEN1KMT2A
SCHEMBL19126021 0.83 ALDH1A1 (0.39) KDM4EALDH1A1SOS1MEN1KMT2A
SCHEMBL31417692 0.82 KDM4E (0.37) KDM4EALDH1A1SOS1MEN1KMT2A
SCHEMBL23698350 0.82 AKR1C3 (0.43) KDM4ESMN1; SMN2XDHPTPN1MAPT
SCHEMBL31417774 0.81 KDM4E (0.36) KDM4EALDH1A1SOS1MEN1KMT2A
SCHEMBL31417569 0.81 KDM4E (0.36) KDM4EALDH1A1SOS1MEN1KMT2A
SCHEMBL22032138 0.81 KDM4E (0.39) KDM4EALDH1A1KMT2AHPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 — — US disclosed
US-12012419-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-18 — — US disclosed
CN-112752760-B Heterocyclic compounds 武田药品工业株式会社 2024-01-19 — — CN disclosed
US-20210347786-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 — — US disclosed
EP-3858838-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 — — EP disclosed
EP-3858823-A1 CONDENSED-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 — — EP disclosed
CN-112752760-A Heterocyclic compounds 武田药品工业株式会社 2021-05-04 — — CN 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 (3 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-20210347786-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, SLC10A1 KDM4E 2171/4885ALDH1A1 177/4885SOS1 1176/4885
US-12012419-B2 Heterocyclic compound SLC10A2, ALPI, SLC10A1 KDM4E 2171/4885ALDH1A1 177/4885SOS1 1176/4885
US-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 KDM4E 2962/4885ALDH1A1 1810/4885SOS1 2445/4885

“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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