SCHEMBL20801346

SCHEMBL20801346

CCCCC(C)(CCC)Nc1ccc(COC(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAAA Q02083 1/20 0.36
ASAH1 Q13510 1/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16646598 0.81 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL21653412 0.79 MBOAT4 (0.37) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL22481360 0.78 ELANE (0.39) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL22316515 0.76 SPHK2 (0.34) ALDH1A1CYP3A4MBOAT4KDM4E
SCHEMBL25608636 0.75 RAB9A (0.38) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL25070756 0.74 SPHK2 (0.33) ALDH1A1HPGDNPC1RAB9ACYP3A4
SCHEMBL23899582 0.72 KMT2A (0.42) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL11491096 0.72 ALDH1A1 (0.47) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL11479562 0.72 ALDH1A1 (0.47) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL11477434 0.72 ALDH1A1 (0.47) ALDH1A1HPGDRAB9AMEN1KMT2A

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-10675358-B2 Antibody adjuvant conjugates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-09 US disclosed
US-20190076547-A1 ANTIBODY ADJUVANT CONJUGATES BOLT BIOTHERAPEUTICS, INC. 2019-03-14 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-10675358-B2 Antibody adjuvant conjugates FCGR1A, FCGR3B, FCGR2A ALDH1A1 978/4885HPGD 2439/4885NPC1 3603/4885
US-20190076547-A1 ANTIBODY ADJUVANT CONJUGATES FCGR1A, FCGR3B, FCGR2A ALDH1A1 954/4885HPGD 2255/4885NPC1 3524/4885

“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.