SCHEMBL23698841

SCHEMBL23698841

COC(=O)c1cc(Br)c2c(c1OC)CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 4/20 0.38
▸ ACHE P22303 4/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ TPMT P51580 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL2474533 0.81 ACHE (0.46) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL31417620 0.81 SOS1 (0.50) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL23698877 0.79 ALDH1A1 (0.45) ALDH1A1HPGDPOLBL3MBTL1MAPK1
SCHEMBL31417527 0.79 ACHE (0.36) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL21367478 0.79 KMT2A (0.44) ALDH1A1KDM4EHPGDNPSR1POLB
SCHEMBL31417550 0.78 ACHE (0.36) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL23698910 0.77 KDM4E (0.38) ALDH1A1KDM4EHPGDNPSR1POLB
SCHEMBL3709174 0.76 HSD17B10 (0.49) ALDH1A1KDM4EHPGDNPSR1POLB
SCHEMBL18397725 0.76 SLC6A3 (0.40) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL20636626 0.73 KDM4E (0.44) ALDH1A1KDM4EHPGDNPSR1POLB

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 ALDH1A1 1810/4885KDM4E 2962/4885HPGD 499/4885

“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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