SCHEMBL6034002

SCHEMBL6034002

CCOc1cccc(CCNCCCCC(=O)c2ccc3c(c2)NC(=O)CO3)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
RXFP1 Q9HBX9 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44
GAA P10253 1/20 0.43

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
Hydrochloric Acid SCHEMBL4858542 0.99 MAPT (0.49) MAPTALDH1A1RXFP1NPSR1SMN1; SMN2
SCHEMBL6034938 0.92 ALDH1A1 (0.50) MAPTALDH1A1RXFP1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4857202 0.91 ADRB2 (0.51) MAPTALDH1A1RXFP1NPSR1KDM4E
SCHEMBL6034940 0.86 ALDH1A1 (0.56) MAPTALDH1A1NPSR1POLBKDM4E
SCHEMBL6035910 0.86 ALDH1A1 (0.51) MAPTALDH1A1RXFP1NPSR1SMN1; SMN2
SCHEMBL6034819 0.86 ALDH1A1 (0.57) MAPTALDH1A1RXFP1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4860542 0.85 ALDH1A1 (0.55) MAPTALDH1A1NPSR1POLBKDM4E
SCHEMBL6035994 0.85 ALDH1A1 (0.53) MAPTALDH1A1RXFP1NPSR1KDM4E
Hydrochloric Acid SCHEMBL4852328 0.85 ALDH1A1 (0.51) MAPTALDH1A1RXFP1NPSR1SMN1; SMN2
SCHEMBL6035341 0.85 ALDH1A1 (0.53) MAPTALDH1A1RXFP1NPSR1SMN1; SMN2

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 3 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-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US 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 (1 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 MAPT 1965/4885ALDH1A1 118/4885RXFP1 128/4885

“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.