SCHEMBL4861577

SCHEMBL4861577

CCOc1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1OCCN(CCCCC=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
LMNA P02545 3/20 0.41
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 7/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRIM24 O15164 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL4862751 0.90 TP53 (0.43) TP53LMNACYP11B1CYP11B2GAA
SCHEMBL4855063 0.86 TP53 (0.44) TP53LMNACYP11B1CYP11B2GAA
SCHEMBL4858572 0.82 CYP11B1 (0.44) LMNACYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL4858694 0.82 TRIM24 (0.46) LMNACYP11B1CYP11B2SMN1; SMN2TRIM24
SCHEMBL4851559 0.79 NOTUM (0.41) LMNACYP11B1CYP11B2MAPTTRIM24
SCHEMBL4860321 0.79 CYP11B1 (0.48) TP53LMNACYP11B1CYP11B2MAPT
SCHEMBL4861574 0.78 LMNA (0.47) TP53LMNAGAAMAPTPOLB
SCHEMBL4861430 0.78 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL4857557 0.77 LMNA (0.42) TP53LMNACYP11B1CYP11B2GAA
SCHEMBL4860923 0.77 TP53 (0.35) TP53LMNAGAAMAPTPOLB

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 TP53 4560/4885LMNA 1921/4885CYP11B1 615/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TP53 4560/4885LMNA 1921/4885CYP11B1 615/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TP53 4160/4885LMNA 2218/4885CYP11B1 698/4885

“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.