SCHEMBL4858320

SCHEMBL4858320

O=C(CCCCCl)c1ccc2c(c1)CCCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 11/20 0.68
WNT3A P56704 9/20 0.68
ALDH1A1 P00352 4/20 0.49
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KLF5 Q13887 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4857484 0.92 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1ACHESMN1; SMN2
SCHEMBL22428725 0.85 CTNNB1 (0.70) CTNNB1WNT3AALDH1A1ACHESMN1; SMN2
SCHEMBL13193134 0.85 CTNNB1 (0.68) CTNNB1WNT3AALDH1A1ACHESMN1; SMN2
SCHEMBL4855229 0.82 HPGD (0.66) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
SCHEMBL15088740 0.82 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1ACHEHPGD
SCHEMBL15968767 0.81 CTNNB1 (1.00) CTNNB1WNT3AALDH1A1ACHESMN1; SMN2
SCHEMBL5328213 0.80 CTNNB1 (0.57) CTNNB1WNT3AALDH1A1SMN1; SMN2TDP1
SCHEMBL15979796 0.80 CTNNB1 (0.78) CTNNB1WNT3AALDH1A1ACHEPKM
SCHEMBL15980023 0.80 CTNNB1 (0.78) CTNNB1WNT3AALDH1A1ACHEHPGD
SCHEMBL15968912 0.80 CTNNB1 (1.00) CTNNB1WNT3AALDH1A1

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 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.