SCHEMBL4850101

SCHEMBL4850101

CCOc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 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
SCHEMBL4851844 0.92 ALDH1A1 (0.47) ALDH1A1MAPTRXFP1SMN1; SMN2ALOX15
SCHEMBL4851960 0.91 ALDH1A1 (0.49) ALDH1A1MAPTRXFP1SMN1; SMN2ALOX15
SCHEMBL13987983 0.89 NPSR1 (0.47) ALDH1A1MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL13987124 0.88 ALDH1A1 (0.55) ALDH1A1MAPTRXFP1SMN1; SMN2TSHR
SCHEMBL4860213 0.88 CASP3 (0.50) ALDH1A1MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL13988010 0.88 ALDH1A1 (0.48) ALDH1A1MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL4859795 0.88 CASP3 (0.49) ALDH1A1MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL4852531 0.87 ALDH1A1 (0.48) ALDH1A1MAPTRXFP1SMN1; SMN2TP53
SCHEMBL6034277 0.87 ALDH1A1 (0.52) ALDH1A1MAPTRXFP1SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL4856892 0.87 ALDH1A1 (0.51) ALDH1A1MAPTRXFP1SMN1; SMN2ALOX15

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 118/4885MAPT 1965/4885RXFP1 128/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885MAPT 1965/4885RXFP1 128/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885MAPT 1584/4885RXFP1 683/4885

“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.