SCHEMBL4856758

SCHEMBL4856758

CCOc1ccccc1OCCN(CCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
BRD4 O60885 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4860916 0.89 ALDH1A1 (0.42) BRPF1ALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL13987180 0.88 MAPT (0.37) ALDH1A1SMN1; SMN2GLAMAPTTP53
SCHEMBL4859693 0.84 BRD4 (0.38) BRPF1ALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL4850087 0.84 ACHE (0.40) BRPF1ALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL4860067 0.83 ALDH1A1 (0.42) BRPF1ALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL4852358 0.82 CYP11B1 (0.38) KDM4ETHRATHRBKMT2A
SCHEMBL13988027 0.82 ALDH1A1 (0.43) BRPF1ALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL13988028 0.82 ALDH1A1 (0.39) BRPF1ALDH1A1SMN1; SMN2GLABRD4
SCHEMBL4861025 0.82 DRD2 (0.36) BRPF1ALDH1A1SMN1; SMN2GLABRD4
SCHEMBL4857775 0.81 POLB (0.40) BRPF1ALDH1A1SMN1; SMN2GLABRD4

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 BRPF1 2472/4885ALDH1A1 118/4885SMN1; SMN2 1472/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 BRPF1 2472/4885ALDH1A1 118/4885SMN1; SMN2 1472/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE BRPF1 1735/4885ALDH1A1 212/4885SMN1; SMN2 1418/4885

“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.