SCHEMBL4862746

SCHEMBL4862746

CCOc1ccccc1OCCN(CCCCC(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 9/20 0.43
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.38
ADRB2 P07550 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRIM24 O15164 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
SCHEMBL4861574 0.90 LMNA (0.47) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL4857554 0.89 LMNA (0.43) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL4852358 0.87 CYP11B1 (0.38) KDM4E
SCHEMBL4854070 0.85 TRIM24 (0.43) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL4861185 0.85 TRIM24 (0.45) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL4858784 0.85 ALDH1A1 (0.45) MAPTALDH1A1HSD17B10HPGDKDM4E
SCHEMBL13987987 0.83 ALDH1A1 (0.43) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL13987176 0.83 ALDH1A1 (0.42) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL4861390 0.83 MCHR1 (0.43) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL13987585 0.80 LMNA (0.51) LMNAMAPTALDH1A1HSD17B10HPGD

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 LMNA 1921/4885MAPT 1965/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885MAPT 1965/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LMNA 2218/4885MAPT 1584/4885ALDH1A1 212/4885

“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.