SCHEMBL19651935

SCHEMBL19651935

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.85
NR5A2 O00482 2/20 0.82
NR5A1 Q13285 2/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
MAPT P10636 1/20 0.73
RECQL P46063 1/20 0.65
FABP3 P05413 1/20 0.65
SELP P16109 1/20 0.61
S1PR1 P21453 1/20 0.56
ADRA1D P25100 1/20 0.56
PTAFR P25105 1/20 0.56
HTR1D P28221 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKCA P17252 1/20 0.54

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
SCHEMBL31615945 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31469169 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31515814 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31366836 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31381149 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL236438 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL79578 1.00 ALDH1A1 (0.85) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL23834444 0.99 NR5A2 (0.83) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL234615 0.99 NR5A2 (0.83) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL233018 0.99 NR5A2 (0.83) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220155306-A1 Biomarkers of Breast and Lung Cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-05-19 US claimed
WO-2025091079-A1 DIAGNOSTIC SIGNATURE BCAL Diagnostics Limited (AU) 2025-05-08 WO disclosed
US-20220155306-A1 Biomarkers of Breast and Lung Cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-05-19 US disclosed
US-9957287-B2 Methods and compositions to treat type-1 and type-2 diabetes CORNELL UNIVERSITY (US) 2018-05-01 US disclosed
US-20170342097-A1 METHODS AND COMPOSITIONS TO TREAT TYPE-1 AND TYPE-2 DIABETES CORNELL UNIVERSITY 2017-11-30 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-20170342097-A1 METHODS AND COMPOSITIONS TO TREAT TYPE-1 AND TYPE-2 DIABETES IAPP, GPR119, IRS1 ALDH1A1 2816/4885NR5A2 1574/4885NR5A1 1325/4885

“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.