SCHEMBL4859795

SCHEMBL4859795

CC(C)(C)OC(=O)N(CCCCCC(=O)c1ccc2c(c1)NC(=O)CO2)CCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPT P10636 7/20 0.46
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 1/20 0.41

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
SCHEMBL4860213 0.99 CASP3 (0.50) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL13988010 0.91 ALDH1A1 (0.48) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL13987983 0.91 NPSR1 (0.47) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL4851844 0.90 ALDH1A1 (0.47) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL13987124 0.90 ALDH1A1 (0.55) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL4863090 0.90 ALDH1A1 (0.49) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL4852531 0.89 ALDH1A1 (0.48) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL4855307 0.89 CASP3 (0.54) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL4861331 0.88 CASP3 (0.54) CASP3SENP7ALDH1A1MAPTKDM4E
SCHEMBL4850101 0.88 ALDH1A1 (0.46) CASP3SENP7ALDH1A1MAPTKDM4E

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 8 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-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 CASP3 2953/4885SENP7 858/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CASP3 2953/4885SENP7 858/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CASP3 2355/4885SENP7 342/4885ALDH1A1 212/4885

“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.