SCHEMBL4857484

SCHEMBL4857484

O=C(CCCCCl)c1ccc2c(c1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.56
WNT3A P56704 8/20 0.56
PRKCI P41743 1/20 0.50
ACHE P22303 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KLF5 Q13887 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL4858320 0.92 CTNNB1 (0.68) CTNNB1WNT3APRKCIACHEALDH1A1
SCHEMBL15088740 0.90 CTNNB1 (0.60) CTNNB1WNT3APRKCIACHETAS1R3
SCHEMBL5312930 0.84 CTNNB1 (0.61) CTNNB1WNT3APRKCIACHETAS1R3
SCHEMBL4855229 0.84 HPGD (0.66) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL1182701 0.84 PRKCI (0.57) CTNNB1WNT3APRKCITAS1R3TAS1R1
SCHEMBL4260152 0.81 PKM (0.70) CTNNB1WNT3APRKCIACHETAS1R3
SCHEMBL11801328 0.81 CTNNB1 (0.41) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2
SCHEMBL11022828 0.81 HPGD (0.70) CTNNB1WNT3APRKCIACHETAS1R3
SCHEMBL5311636 0.80 CTNNB1 (0.53) CTNNB1WNT3APRKCIACHETAS1R3
SCHEMBL7483165 0.80 HPGD (0.68) CTNNB1WNT3AALDH1A1TP53SMN1; SMN2

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 14 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
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 3076/4885PRKCI 2984/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885PRKCI 2984/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CTNNB1 4153/4885WNT3A 4058/4885PRKCI 3996/4885
US-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 CTNNB1 3429/4885WNT3A 3737/4885PRKCI 4693/4885

“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.