SCHEMBL4855229

SCHEMBL4855229

O=C(CCCCCl)c1ccc2c(c1)OCCO2

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
PKM P14618 1/20 0.66
TSHR P16473 1/20 0.66
ALDH1A1 P00352 4/20 0.64
TP53 P04637 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 1/20 0.64
KLF5 Q13887 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CTNNB1 P35222 12/20 0.64
WNT3A P56704 7/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ATM Q13315 1/20 0.60
ALDH3A1 P30838 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL7483165 0.95 HPGD (0.68) HPGDPKMTSHRALDH1A1TP53
SCHEMBL22638740 0.89 HPGD (0.71) HPGDPKMTSHRALDH1A1TP53
SCHEMBL7422841 0.86 ALDH1A1 (0.66) HPGDPKMTSHRALDH1A1TP53
SCHEMBL653025 0.85 PKM (0.87) HPGDPKMTSHRALDH1A1CTNNB1
SCHEMBL4857484 0.84 CTNNB1 (0.56) HPGDPKMTSHRALDH1A1TP53
SCHEMBL1535157 0.84 ATM (0.72) HPGDPKMTSHRALDH1A1TP53
SCHEMBL27611333 0.83 HPGD (0.82) HPGDPKMTSHRALDH1A1TP53
SCHEMBL4858320 0.82 CTNNB1 (0.68) HPGDPKMTSHRALDH1A1TP53
SCHEMBL19043395 0.82 HPGD (0.70) HPGDPKMTSHRALDH1A1TP53
SCHEMBL26940514 0.81 HPGD (0.74) HPGDPKMTSHRALDH1A1TP53

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 11 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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
WO-2000004015-A1 1-4-DIHYDROPYRIDINES WITH BENZODIOXO CARBONYL GROUP AS CALCIUM BLOCKERS LABORATOIRE L. LAFON (FR) 2000-01-27 WO 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 HPGD 276/4885PKM 3404/4885TSHR 4026/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HPGD 276/4885PKM 3404/4885TSHR 4026/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HPGD 267/4885PKM 3713/4885TSHR 4425/4885

“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.