SCHEMBL2800546

SCHEMBL2800546

[CH2]C(CCCC)CC1CO1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.34
EPHX1 P07099 1/20 0.32
DNM1 Q05193 1/20 0.30

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
SCHEMBL28219663 0.92 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1EPHX1
SCHEMBL2802304 0.87
SCHEMBL7665362 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL4347775 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TDP1THRBEPHX1
SCHEMBL2804500 0.78
SCHEMBL3235400 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL3243068 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL4798734 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TDP1THRBEPHX1
SCHEMBL3238846 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1THRBEPHX1
SCHEMBL11769136 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404860-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2013-03-26 US disclosed
US-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME SHIIGI HIROFUMI (JP) 2012-11-15 US disclosed
US-8258313-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2012-09-04 US disclosed
EP-2172459-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME Tokuyama Corporation (JP) 2010-04-07 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 (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-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME CASP14, CYP8B1, DDT ALDH1A1 2059/4885SMN1; SMN2 1193/4885TDP1 237/4885

“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.