SCHEMBL4860892

SCHEMBL4860892

CC1(C)Cc2cc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)O)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
KLF5 Q13887 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.34
CTNNB1 P35222 4/20 0.34
WNT3A P56704 3/20 0.34
SSTR5 P35346 1/20 0.33
MCHR1 Q99705 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL4857495 0.89 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TDP1LMNATP53
SCHEMBL13987716 0.83 HIF1A (0.36) ALDH1A1SMN1; SMN2TDP1LMNATP53
Hydrochloric Acid SCHEMBL4862939 0.82 HIF1A (0.36) ALDH1A1SMN1; SMN2TDP1LMNATP53
SCHEMBL4860588 0.81 CTNNB1 (0.57) ALDH1A1SMN1; SMN2TDP1LMNATP53
SCHEMBL13988043 0.79 CTNNB1 (0.35) ALDH1A1SMN1; SMN2TDP1LMNATP53
SCHEMBL4861331 0.78 CASP3 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL4858283 0.78 HTR1A (0.46) ALDH1A1ACHE
SCHEMBL4855307 0.77 CASP3 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL4860283 0.77 DAGLA (0.33) ALDH1A1MAPTSSTR5DAGLA
SCHEMBL4861425 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTMCHR1KDM4E

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 ALDH1A1 118/4885SMN1; SMN2 1472/4885TDP1 989/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885SMN1; SMN2 1472/4885TDP1 989/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885SMN1; SMN2 1418/4885TDP1 1472/4885

“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.