SCHEMBL4853328

SCHEMBL4853328

COc1cc2c(cc1OC)C(=O)C(CCCCl)(C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC2A1 P11166 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 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
SCHEMBL13987169 0.86 KDM4E (0.43) HSD17B10CA1CA2CA7CA9
SCHEMBL4853762 0.84 HSD17B10 (0.38) HSD17B10CA1CA2CA7CA9
SCHEMBL13987170 0.83 KDM4E (0.43) HSD17B10CA1CA2CA7CA9
SCHEMBL27593283 0.77 KDM4E (0.37) HSD17B10CA1CA2CA7CA9
SCHEMBL5359312 0.76 KDM4E (0.41) HSD17B10CA1CA2CA7CA9
SCHEMBL13988029 0.76 KDM4E (0.45) HSD17B10CA1CA2CA7CA9
SCHEMBL5364385 0.75 KDM4E (0.40) HSD17B10CA1CA2CA7CA9
SCHEMBL9358766 0.73 KDM4E (0.43) HSD17B10CA1CA2CA7CA9
SCHEMBL8938822 0.67 ALDH1A1 (0.51) CA1CA2CA7CA9KDM4E
SCHEMBL4859300 0.67 SMN1; SMN2 (0.35) HSD17B10LMNAALDH1A1GAA

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HSD17B10 1927/4885CA1 722/4885CA2 397/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HSD17B10 1927/4885CA1 722/4885CA2 397/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HSD17B10 1291/4885CA1 665/4885CA2 400/4885

“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.