SCHEMBL13975751

SCHEMBL13975751

CCCCN1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 3/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
GNAI3 P08754 4/20 0.41
GNAO1 P09471 4/20 0.41
GNAI1 P63096 4/20 0.41
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL19931764 0.90 HRH3 (0.49) HRH3KCNH2MEN1ALDH1A1TSHR
SCHEMBL7454861 0.84 HRH3 (0.49) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL7749087 0.83 SMN1; SMN2 (0.55) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL1052899 0.83 HRH3 (0.48) HRH3KCNH2MEN1ALDH1A1TSHR
SCHEMBL9281583 0.83 SMN1; SMN2 (0.50) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL13965741 0.83 HRH3 (0.48) HRH3KCNH2MEN1ALDH1A1TSHR
SCHEMBL8829186 0.83 HRH3 (0.48) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL18915030 0.83 HRH3 (0.48) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL13472645 0.82 THRA (0.56) KCNH2ALDH1A1THRATHRBGNAI3
SCHEMBL24709631 0.81 HRH3 (0.47) HRH3MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS HRH3 4516/4885KCNH2 2989/4885MEN1 4416/4885

“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.