SCHEMBL19934941

SCHEMBL19934941

O=C(CNC[C@H](O)CO)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ CNR1 P21554 1/20 0.43

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
SCHEMBL17738932 0.85 MAPT (0.49) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL7695939 0.82 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL8050669 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL8053510 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL25622569 0.80 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL10832273 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL28393864 0.79 CASP1 (0.51) PPARA
SCHEMBL15122690 0.79 CASP1 (0.51) PPARA
SCHEMBL28795488 0.79 CASP1 (0.51) PPARA
SCHEMBL19655835 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-03-08 — — 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-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 ALDH1A1 3847/4885L3MBTL1 1837/4885MAPK1 4766/4885

“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.

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