SCHEMBL13627870

SCHEMBL13627870

CSCCNC(=O)CC(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CD O00329 1/20 0.41
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL4311511 0.77 MCL1 (0.47) L3MBTL1PIK3CDTSHRMEN1KMT2A
SCHEMBL10036633 0.76 ALDH1A1 (0.62) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18436000 0.75 PIK3CD (0.44) ALDH1A1HPGDPIK3CDMEN1KMT2A
SCHEMBL13627868 0.75 ALDH1A1 (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13407579 0.74 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL226350 0.74
SCHEMBL5566252 0.74
SCHEMBL7649871 0.74 ALDH1A1 (0.60) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5143720 0.74
SCHEMBL20976657 0.72 ALDH1A1 (0.58) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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-11124483-B2 HER3 ligands and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200223799-A1 HER3 LIGANDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-16 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 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-11124483-B2 HER3 ligands and uses thereof ERBB3, ERBB2, EGFR ALDH1A1 3637/4885HPGD 3464/4885NPC1 2941/4885
US-20200223799-A1 HER3 LIGANDS AND USES THEREOF ERBB3, ERBB2, EGFR ALDH1A1 3637/4885HPGD 3464/4885NPC1 2941/4885

“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.