SCHEMBL23698910

SCHEMBL23698910

COC(=O)c1cc(Br)c2c(c1OC)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ TARBP2 Q15633 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TPMT P51580 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23698897 0.86 KDM4E (0.35) KDM4EALDH1A1KCNA3HPGDNPSR1
SCHEMBL23698351 0.84 KDM4E (0.39) KDM4EALDH1A1KCNA3HPGDNPSR1
SCHEMBL30678550 0.84 KDM4E (0.39) KDM4EALDH1A1KCNA3HPGDNPSR1
SCHEMBL28947251 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31115435 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL19126021 0.82 ALDH1A1 (0.39) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL31417692 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL31417774 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL31417569 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL22032138 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 — — US disclosed
EP-3858823-A1 CONDENSED-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 — — EP 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-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 KDM4E 2962/4885ALDH1A1 1810/4885KCNA3 850/4885

“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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