SCHEMBL4857495

SCHEMBL4857495

CC(C)(C)OC(=O)N(CCCCC(=O)c1ccc2c(c1)CC(C)(C)O2)CCc1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MCHR1 Q99705 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
HTR4 Q13639 2/20 0.31
ACHE P22303 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL13988043 0.91 CTNNB1 (0.35) ALDH1A1LMNATP53MAPTKLF5
SCHEMBL4860892 0.89 ALDH1A1 (0.37) ALDH1A1LMNATP53MAPTKLF5
SCHEMBL4857629 0.84 CTNNB1 (0.49) ALDH1A1LMNATP53MAPTKLF5
SCHEMBL4860213 0.81 CASP3 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4856265 0.80 HTR1A (0.42) ALDH1A1MCHR1ACHESIRT2
SCHEMBL4859795 0.80 CASP3 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL13987153 0.80 MAPT (0.31) MAPTHSP90AA1HSP90AB1
SCHEMBL4857502 0.80 HIF1A (0.32) HIF1AEPAS1
SCHEMBL13987716 0.79 HIF1A (0.36) ALDH1A1LMNATP53MAPTKLF5
SCHEMBL4861199 0.79 MCHR1 (0.38) LMNAHSP90AA1HSP90AB1MCHR1ACHE

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 8 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-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 ALDH1A1 118/4885LMNA 1921/4885TP53 4560/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885LMNA 1921/4885TP53 4560/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885LMNA 2218/4885TP53 4160/4885

“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.