SCHEMBL4860747

SCHEMBL4860747

COc1ccc(-c2cccc(OC)c2CCN(CCCCCC=O)C(=O)OC(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.35
BRD4 O60885 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 7/20 0.32
HDAC1 Q13547 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
IRAK1 P51617 1/20 0.32
PTK2 Q05397 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
SLK Q9H2G2 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
PLA2G7 Q13093 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL4851739 0.91 KMT2A (0.35) NR3C1BRD4MAPTKMT2AACLY
SCHEMBL4862150 0.90 ACLY (0.37) NR3C1BRD4MAPTKMT2AACLY
SCHEMBL4855039 0.87 PPARG (0.37) BRD4ACLYALDH1A1
SCHEMBL4856413 0.86 BRD4 (0.38) BRD4MAPTKMT2AACLYKDM4E
SCHEMBL4858877 0.81 LPAR1 (0.38) NR3C1BRD4MAPTKMT2AACLY
SCHEMBL4855170 0.76 ACLY (0.42) NR3C1BRD4ACLYALDH1A1
SCHEMBL4860745 0.75 ALDH1A1 (0.39) KMT2AHDAC1CDK9KDM4EALDH1A1
SCHEMBL4851398 0.75 TACR1 (0.38) MAPTKMT2AHDAC1HPGD
SCHEMBL4856412 0.74 ALDH1A1 (0.40) KMT2AHDAC1CDK9KDM4EALDH1A1
SCHEMBL4855325 0.74 BRD4 (0.40) NR3C1BRD4MAPTKMT2AACLY

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 NR3C1 2986/4885BRD4 2766/4885MAPT 1965/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NR3C1 2986/4885BRD4 2766/4885MAPT 1965/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NR3C1 3311/4885BRD4 3524/4885MAPT 1584/4885

“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.