SCHEMBL14790110

SCHEMBL14790110

CO[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.57
▸ POLB P06746 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP3A4 P08684 4/20 0.49
▸ CYP2C8 P10632 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2B6 P20813 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ TRPV1 Q8NER1 3/20 0.49
▸ LTA4H P09960 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ OR51E2 Q9H255 1/20 0.49
▸ HTR1A P08908 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2A6 P11509 2/20 0.48
▸ CYP2E1 P05181 1/20 0.48
▸ APP P05067 1/20 0.48
▸ MMP12 P39900 1/20 0.47
▸ ADRB2 P07550 1/20 0.46

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
SCHEMBL29388330 1.00 IAPP (0.57) IAPPPOLBGAACYP3A4CYP2C8
SCHEMBL14790109 0.95 IAPP (0.52) IAPPPOLBGAACYP3A4CYP2C8
SCHEMBL14790111 0.85 POLB (0.47) IAPPPOLBGAACYP3A4CYP2C8
SCHEMBL6378341 0.83 GAA (0.78) POLBGAACYP3A4CYP2C8CYP2C9
SCHEMBL13250105 0.81 IAPP (0.49) IAPPPOLBGAACYP3A4CYP2C8
SCHEMBL12259973 0.81 IAPP (0.62) IAPPPOLBGAACYP3A4CYP2C8
SCHEMBL12556404 0.81 IAPP (0.62) IAPPPOLBGAACYP3A4CYP2C8
Hirsutanonol SCHEMBL1894697 0.80 POLB (0.63) IAPPPOLBGAACYP3A4CYP2C8
Hirsutanonol SCHEMBL13250104 0.80 POLB (0.63) IAPPPOLBGAACYP3A4CYP2C8
Hirsutanonol SCHEMBL1816532 0.80 POLB (0.63) IAPPPOLBGAACYP3A4CYP2C8

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-20130072450-A1 ANTIOXIDATIVE AND HEPATOPROTECTIVE COMPOSITIONS CONTAINING DIARYLHEPTANOIDS FROM ALNUS JAPONICA RNL BIO CO., LTD. (KR) 2013-03-21 — — 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-20130072450-A1 ANTIOXIDATIVE AND HEPATOPROTECTIVE COMPOSITIONS CONTAINING DIARYLHEPTANOIDS FROM ALNUS JAPONICA NR1H2, ALOX15B, ALOX12 IAPP 821/4885POLB 1297/4885GAA 2091/4885

“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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