SCHEMBL4857557

SCHEMBL4857557

CCOc1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1NCCN(CCCCC=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TP53 P04637 3/20 0.42
GAA P10253 1/20 0.36
TRIM24 O15164 2/20 0.36
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4855063 0.90 TP53 (0.44) LMNATP53GAATRIM24CYP11B1
SCHEMBL4862751 0.87 TP53 (0.43) LMNATP53GAATRIM24CYP11B1
SCHEMBL4861189 0.81 TRIM24 (0.43) LMNATRIM24CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4854074 0.81 CYP11B1 (0.41) LMNATRIM24CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4857554 0.80 LMNA (0.43) LMNATP53MAPTSMN1; SMN2
SCHEMBL4858788 0.80 CYP11B1 (0.42) LMNAGAATRIM24CYP11B1CYP11B2
SCHEMBL4861394 0.79 NOTUM (0.39) CYP11B1CYP11B2
SCHEMBL4861577 0.77 TP53 (0.46) LMNATP53GAATRIM24CYP11B1
SCHEMBL4851828 0.75 TRIM24 (0.36) LMNATRIM24CYP11B1CYP11B2
SCHEMBL4857483 0.75 HSD17B3 (0.39) CYP11B1CYP11B2

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 7 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-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 LMNA 1921/4885TP53 4560/4885GAA 372/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885TP53 4560/4885GAA 372/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LMNA 2218/4885TP53 4160/4885GAA 122/4885

“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.