SCHEMBL19254900

SCHEMBL19254900

O=C(NCC1CCCO1)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.65
PKM P14618 1/20 0.65
TSHR P16473 2/20 0.60
USP2 O75604 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 1/20 0.58
ALOX12 P18054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL19254902 0.96 HPGD (0.65) HPGDPKMTSHRUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL21639935 0.85 HPGD (0.57) HPGDPKMTSHRUSP2SMN1; SMN2
SCHEMBL21680230 0.85 HPGD (0.53) HPGDPKMTSHRUSP2SMN1; SMN2
SCHEMBL3436778 0.84 PKM (0.71) HPGDPKMTSHRSMN1; SMN2HTT
SCHEMBL24494873 0.84 PKM (0.60) HPGDPKMTSHRUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL21640081 0.83 HPGD (0.52) HPGDPKMTSHRUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL21640726 0.83 HPGD (0.52) HPGDPKMTSHRUSP2SMN1; SMN2
SCHEMBL24322831 0.83 HPGD (0.52) HPGDPKMTSHRUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL21640489 0.82 HPGD (0.53) HPGDPKMTSHRUSP2SMN1; SMN2
SCHEMBL11146778 0.81 EPHX1 (0.63) HPGDPKMTSHRSMN1; SMN2HTT

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-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-02-15 US disclosed
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-16 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 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 (3 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-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence PNISR, PGLS, QRFPR HPGD 1821/4885PKM 2019/4885TSHR 303/4885
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor AREG, QRFPR, GPR139 HPGD 622/4885PKM 4418/4885TSHR 171/4885
US-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor AREG, QRFPR, GPR139 HPGD 622/4885PKM 4418/4885TSHR 171/4885

“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.