SCHEMBL4861077

SCHEMBL4861077

COc1cccc(CCN(CCCCC(=O)c2ccc3c(c2)NC(=O)CO3)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4862681 0.93 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ERXFP1NPSR1
SCHEMBL4852531 0.91 ALDH1A1 (0.48) ALDH1A1TP53MAPTKDM4ERXFP1
SCHEMBL4859982 0.90 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ERXFP1NPSR1
SCHEMBL4855459 0.90 MAPT (0.47) ALDH1A1MAPTKDM4ERXFP1NPSR1
SCHEMBL4863090 0.90 ALDH1A1 (0.49) ALDH1A1TP53MAPTKDM4ERXFP1
SCHEMBL4860604 0.90 ALDH1A1 (0.47) ALDH1A1TP53MAPTKDM4ERXFP1
SCHEMBL6034284 0.86 ALDH1A1 (0.51) ALDH1A1TP53MAPTKDM4ERXFP1
Hydrochloric Acid SCHEMBL4854978 0.86 ALDH1A1 (0.50) ALDH1A1TP53MAPTKDM4ERXFP1
SCHEMBL6034014 0.86 ALDH1A1 (0.52) ALDH1A1TP53MAPTKDM4ERXFP1
SCHEMBL4851844 0.85 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ERXFP1POLB

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 9 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-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 ALDH1A1 118/4885TP53 4560/4885MAPT 1965/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885TP53 4560/4885MAPT 1965/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885TP53 4160/4885MAPT 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.