SCHEMBL4861293

SCHEMBL4861293

COc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)OCCO2)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.58
WNT3A P56704 7/20 0.58
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KLF5 Q13887 1/20 0.56
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL13987148 0.89 CTNNB1 (0.54) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
SCHEMBL4860428 0.84 CTNNB1 (0.40) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
SCHEMBL4858780 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL13987464 0.82 CTNNB1 (0.61) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL27611421 0.81 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL4860129 0.81 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
SCHEMBL4859697 0.79 PKM (0.48) ALDH1A1TDP1PKMTSHR
SCHEMBL4861455 0.79 ACHE (0.44) MAPT
SCHEMBL4861454 0.79 ACHE (0.56) ALDH1A1
SCHEMBL4854944 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPT

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 CTNNB1 2598/4885WNT3A 3076/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CTNNB1 4153/4885WNT3A 4058/4885ALDH1A1 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.