SCHEMBL4853522

SCHEMBL4853522

COc1ccccc1OCC(C)OS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
CYP1A2 P05177 2/20 0.49
AGTR1 P30556 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.40
MIF P14174 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30189581 0.80 NR2E1 (0.52) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL4851435 0.78 LMNA (0.52) LMNACA1CA2CA12CA7
SCHEMBL25218614 0.78 HRH1 (0.47) LMNACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL25259239 0.78 HRH1 (0.47) LMNACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL25216672 0.78 HRH1 (0.47) LMNACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL9348261 0.78 LMNA (0.56) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL4861107 0.77 HTT (0.44) SMN1; SMN2KDM4EPOLBCA1CA2
SCHEMBL6492324 0.75 MTNR1A (0.52) LMNACYP1A2KDM4EMTNR1AMTNR1B
SCHEMBL27611357 0.75 CA12 (0.49) KDM4EPOLBCA1CA2CA12
SCHEMBL1446334 0.75 LMNA (0.61) LMNACYP1A2AGTR1SMN1; SMN2KDM4E

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 LMNA 1921/4885CYP1A2 757/4885AGTR1 17/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885CYP1A2 757/4885AGTR1 17/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LMNA 2218/4885CYP1A2 799/4885AGTR1 33/4885

“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.