SCHEMBL16285484

SCHEMBL16285484

O=C(CCCCCCCC(=O)OCCl)OCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
PAM P19021 2/20 0.45
TSHR P16473 4/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 2/20 0.41
DNM1 Q05193 1/20 0.41
KDM4E B2RXH2 1/20 0.39
DUSP3 P51452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23225677 1.00 DGKA (0.50) DGKAPAMTSHRMAPTLMNA
SCHEMBL28429625 1.00 DGKA (0.50) DGKAPAMTSHRMAPTLMNA
SCHEMBL1810800 0.97 DGKA (0.46) DGKAPAMTSHRMAPTLMNA
SCHEMBL8775788 0.93 DGKA (0.45) DGKAPAMTSHRMAPTLMNA
SCHEMBL30864611 0.91 TSHR (0.55) PAMTSHRLMNAALDH1A1MEN1
SCHEMBL10414846 0.89 DGKA (0.69) DGKAPAMTSHRMAPTLMNA
SCHEMBL23748843 0.89 DGKA (0.69) DGKAPAMTSHRMAPTLMNA
SCHEMBL355177 0.89 DGKA (0.69) DGKAPAMTSHRMAPTLMNA
SCHEMBL353797 0.89 DGKA (0.69) DGKAPAMTSHRMAPTLMNA
SCHEMBL2857061 0.89 DGKA (0.69) DGKAPAMTSHRMAPTLMNA

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-20220064106-A1 NITRIC OXIDE DONORS MEDCHEM PARTNERS LLC (US) 2022-03-03 US disclosed
US-11148999-B2 Nitric oxide donors MedChem Partners, LLC (US) 2021-10-19 US disclosed
US-20190345099-A1 NITRIC OXIDE DONORS MEDCHEM PARTNERS, LLC. 2019-11-14 US disclosed
US-9907812-B2 Conjugate-based antifungal and antibacterial prodrugs VYOME BIOSCIENCES PVT. LTD. (IN) 2018-03-06 US disclosed
US-20140364595-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES (IN) 2014-12-11 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 (4 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-20190345099-A1 NITRIC OXIDE DONORS NOS2, NOS1, NOS3 DGKA 2676/4885PAM 235/4885TSHR 2741/4885
US-11148999-B2 Nitric oxide donors NOS2, NOS1, NOS3 DGKA 2676/4885PAM 235/4885TSHR 2741/4885
US-20140364595-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS XPO1, MTX1, FUT5 DGKA 4600/4885PAM 103/4885TSHR 4597/4885
US-20220064106-A1 NITRIC OXIDE DONORS NOS2, NOS1, NOS3 DGKA 2676/4885PAM 235/4885TSHR 2741/4885

“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.