SCHEMBL14225513

SCHEMBL14225513

COC(=O)C/C(=C(\CC(=O)OC)C1CCCCO1)C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.37
HTT P42858 1/20 0.36
SLC6A3 Q01959 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20625206 0.86 HPGD (0.44) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL1015504 0.80 HPGD (0.48) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL1016103 0.80 HPGD (0.48) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL1015503 0.80 HPGD (0.48) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL27530374 0.77 HPGD (0.49) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL2200874 0.77 HPGD (0.49) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL20599594 0.76 HPGD (0.45) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL3862180 0.73 HPGD (0.45) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL7904840 0.71 HPGD (0.44) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL22076454 0.71 HPGD (0.41) HPGDALDH1A1KMT2AMEN1NPC1

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-9829487-B2 Self-assembled monolayers and methods for using the same in biosensing applications NUTECH VENTURES (US) 2017-11-28 US disclosed
US-9079835-B2 Self-assembled monolayers and methods for using the same in biosensing applications NUTECH VENTURES (US) 2015-07-14 US disclosed
US-20120315625-A1 SELF-ASSEMBLED MONOLAYERS AND METHODS FOR USING THE SAME IN BIOSENSING APPLICATIONS NATIONAL SCIENCE FOUNDATION 2012-12-13 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-20120315625-A1 SELF-ASSEMBLED MONOLAYERS AND METHODS FOR USING THE SAME IN BIOSENSING APPLICATIONS SPR, SAMSN1, NAPA HPGD 3895/4885ALDH1A1 2389/4885KMT2A 4306/4885

“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.