SCHEMBL17464865

SCHEMBL17464865

CCC(O)(CO)CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17464870 0.88 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL17464869 0.88 MEN1 (0.37) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL3106940 0.87 MEN1 (0.33) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL12844859 0.83 MEN1 (0.31) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL19294811 0.81 ALDH1A1 (0.37) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL10939910 0.79 MEN1 (0.37) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL12491546 0.76
SCHEMBL8533096 0.75 TSHR (0.33) ALDH1A1TSHR
SCHEMBL28091504 0.75 ALDH1A1 (0.34) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL11195867 0.75 ALDH1A1 (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 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 (2 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 ALDH1A1 2515/4885MEN1 4224/4885CYP3A4 1186/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 ALDH1A1 2515/4885MEN1 4224/4885CYP3A4 1186/4885

“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.