SCHEMBL4860923

SCHEMBL4860923

CCOc1ccc(-c2ccc3c(c2)n(C)c(=O)n3C)cc1OCCN(CCCCC=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
ADORA2B P29275 2/20 0.35
KDM4E B2RXH2 5/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
ADORA2A P29274 5/20 0.33
POLB P06746 1/20 0.33
ADORA1 P30542 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL4856763 0.89 TP53 (0.33) TP53ADORA2BKDM4EXBP1KMT2A
SCHEMBL4860037 0.85 TP53 (0.34) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL4861413 0.80 BRD4 (0.42) TP53ADORA2BKDM4EGAAALDH1A1
SCHEMBL4854950 0.80 BRD4 (0.42) TP53ADORA2BKDM4EGAAALDH1A1
SCHEMBL4858452 0.77 GAA (0.36) TP53GAAALDH1A1
SCHEMBL4861577 0.77 TP53 (0.46) TP53KDM4EGAAALDH1A1MAPT
SCHEMBL4860773 0.77 MAPK1 (0.39) KMT2AALDH1A1LMNA
SCHEMBL4860916 0.76 ALDH1A1 (0.42) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL4850092 0.70 BRD4 (0.40) TP53ADORA2BKDM4EGAAALDH1A1
SCHEMBL4861031 0.68 CA14 (0.34) GAA

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 4560/4885ADORA2B 482/4885KDM4E 3792/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TP53 4560/4885ADORA2B 482/4885KDM4E 3792/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TP53 4160/4885ADORA2B 378/4885KDM4E 3707/4885

“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.