SCHEMBL4861301

SCHEMBL4861301

COc1ccc(-c2ccc3c(c2)OCCO3)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
PDCD1 Q15116 6/20 0.39
CD274 Q9NZQ7 6/20 0.39
SLC6A9 P48067 2/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LTB4R Q15722 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL4860434 0.86 ERN1 (0.34) ERN1PDCD1CD274ALDH1A1KDM4E
SCHEMBL4859704 0.80 PKM (0.41)
SCHEMBL4858878 0.79 ERN1 (0.34) ERN1HTR2AHTR2C
SCHEMBL4861457 0.79 ACHE (0.35) KMT2AHTR1D
SCHEMBL4855325 0.79 BRD4 (0.40) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4854950 0.79 BRD4 (0.42) ALDH1A1KDM4E
SCHEMBL4862290 0.78 ERN1 (0.34) ERN1SLC6A9ALDH1A1KDM4EKMT2A
SCHEMBL4861459 0.78 MEN1 (0.34) KMT2A
SCHEMBL4857349 0.78 NRP1 (0.34) ERN1
SCHEMBL4858815 0.78 HSD17B1 (0.34) ERN1

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 ERN1 3841/4885PDCD1 4524/4885CD274 4657/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ERN1 3841/4885PDCD1 4524/4885CD274 4657/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ERN1 4359/4885PDCD1 4801/4885CD274 4870/4885

“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.