SCHEMBL24307673

SCHEMBL24307673

CCCCCNCC(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
EPHX1 P07099 4/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH7 P40394 2/20 0.37
ADH4 P08319 1/20 0.37
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL28353996 0.98 TSHR (0.48) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL6488249 0.98 TSHR (0.48) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL11195659 0.93 TSHR (0.44) TSHRALDH1A1ANPEPERAP2ADH1B
SCHEMBL10931582 0.84 ANPEP (0.38) ANPEPEPHX1
SCHEMBL1532449 0.78 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL10495800 0.78 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL1668578 0.78 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL987948 0.78 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL8315999 0.78 THRB (0.42) EPHX1
SCHEMBL8116246 0.78 ANPEP (0.46) TSHRALDH1A1ANPEPERAP2EPHX1

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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
WO-2022075486-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-04-14 WO 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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 TSHR 3627/4885ALDH1A1 1622/4885ANPEP 2712/4885

“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.