SCHEMBL4860897

SCHEMBL4860897

CC1(C)Cc2cc(-c3ccc(Cl)c(CCN(CCCCC=O)C(=O)O)c3)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
AKR1B1 P15121 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HTR2A P28223 1/20 0.30
SSTR5 P35346 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4860596 0.81 ERN1 (0.36) FFAR4
SCHEMBL4860290 0.79 DAGLA (0.35) DAGLA
SCHEMBL4860892 0.77 ALDH1A1 (0.37) DAGLAHIF1AEPAS1SSTR5KDM4E
SCHEMBL4861430 0.76 CYP11B1 (0.43)
SCHEMBL4858194 0.74 NRP1 (0.33)
SCHEMBL4888439 0.73 NRP1 (0.35)
SCHEMBL5577168 0.73 NPC1 (0.31)
SCHEMBL4861303 0.72 NPC1 (0.34)
SCHEMBL4859640 0.72 NRP1 (0.30)
SCHEMBL4851708 0.71 PKM (0.39) GAA

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 DAGLA 1350/4885HIF1A 2216/4885EPAS1 1752/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 DAGLA 1350/4885HIF1A 2216/4885EPAS1 1752/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE DAGLA 1622/4885HIF1A 3453/4885EPAS1 2986/4885

“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.