SCHEMBL5981634

SCHEMBL5981634

[CH2]CCCC(=O)c1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 3/20 0.62
RECQL P46063 1/20 0.62
NOTUM Q6P988 6/20 0.58
MAPT P10636 8/20 0.55
HSD17B10 Q99714 1/20 0.55
PKM P14618 1/20 0.53
ADRB2 P07550 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
LMNA P02545 2/20 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
SCHEMBL5782150 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL4857963 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL4856578 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL7388648 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL5780390 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL870500 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL5419204 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL869390 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL5766977 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLNOTUM
SCHEMBL5821038 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRECQLNOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US 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 (1 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-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885KDM4E 3792/4885HPGD 276/4885

“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.