SCHEMBL3770889

SCHEMBL3770889

CC(=NOCCCCC1COC(C)(C(=O)O)OC1C)c1cn(C)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
NR4A2 P43354 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RASGRP1 O95267 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
GRM5 P41594 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3762768 0.88 PPARA (0.42) LMNANR4A2POLBALDH1A1MITF
SCHEMBL3762771 0.88 PPARA (0.42) LMNANR4A2POLBALDH1A1MITF
SCHEMBL3763466 0.83 PPARA (0.47) LMNASMN1; SMN2HTTPPARGPPARA
SCHEMBL3770886 0.81 NR4A2 (0.42) LMNANR4A2POLBALDH1A1MITF
SCHEMBL3763317 0.80 PPARA (0.41) HDAC1HDAC2PPARGPPARA
SCHEMBL3764480 0.80 PPARA (0.46) PPARGPPARA
SCHEMBL3960556 0.79 LMNA (0.40) LMNANR4A2POLBALDH1A1MITF
SCHEMBL3960922 0.78 LMNA (0.38) LMNAALDH1A1MITFMAPTNPSR1
SCHEMBL3758770 0.78 PPARA (0.42) ALDH1A1KMT2ASMN1; SMN2PPARGPPARA
SCHEMBL3769108 0.78 NPC1 (0.41) ALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268867-B2 1,3-dioxane carboxylic acids CADILA HEALTHCARE LIMITED (IN) 2012-09-18 US claimed
US-20100311795-A1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LIMITED (IN) 2010-12-09 US claimed
EP-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP claimed
US-8268867-B2 1,3-dioxane carboxylic acids CADILA HEALTHCARE LIMITED (IN) 2012-09-18 US disclosed
US-20100311795-A1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LIMITED (IN) 2010-12-09 US disclosed
EP-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP 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-20100311795-A1 1,3-DIOXANE CARBOXYLIC ACIDS SLC10A1, CYP11B2, UGT1A1 LMNA 1622/4885NR4A2 3273/4885POLB 2451/4885

“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.